From 9ed1090111222a15d1dfa5afd5e406e41b71dc65 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 4 Jun 2014 15:34:48 +0000
Subject: [PATCH 01/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12064
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/lammps.cpp | 26 ++++++--------------------
 src/output.cpp |  2 +-
 src/rerun.cpp  |  2 +-
 3 files changed, 8 insertions(+), 22 deletions(-)

diff --git a/src/lammps.cpp b/src/lammps.cpp
index c3151cf8f3..6af3d9a8b4 100644
--- a/src/lammps.cpp
+++ b/src/lammps.cpp
@@ -77,8 +77,8 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator)
   int logflag = 0;
   int partscreenflag = 0;
   int partlogflag = 0;
-  int cudaflag = -1;
-  int kokkosflag = -1;
+  int cudaflag = 0;
+  int kokkosflag = 0;
   int restartflag = 0;
   int citeflag = 1;
   int helpflag = 0;
@@ -428,18 +428,11 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator)
   // create Cuda class if USER-CUDA installed, unless explicitly switched off
   // instantiation creates dummy Cuda class if USER-CUDA is not installed
 
-  if (cudaflag == 0) {
-    cuda = NULL;
-  } else if (cudaflag == 1) {
+  cuda = NULL;
+  if (cudaflag == 1) {
     cuda = new Cuda(this);
     if (!cuda->cuda_exists)
       error->all(FLERR,"Cannot use -cuda on without USER-CUDA installed");
-  } else {
-    cuda = new Cuda(this);
-    if (!cuda->cuda_exists) {
-      delete cuda;
-      cuda = NULL;
-    }
   }
 
   int me;
@@ -450,18 +443,11 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator)
   // instantiation creates dummy Kokkos class if KOKKOS is not installed
   // add args between kkfirst and kklast to Kokkos instantiation
 
-  if (kokkosflag == 0) {
-    kokkos = NULL;
-  } else if (kokkosflag == 1) {
+  kokkos = NULL;
+  if (kokkosflag == 1) {
     kokkos = new KokkosLMP(this,kklast-kkfirst,&arg[kkfirst]);
     if (!kokkos->kokkos_exists)
       error->all(FLERR,"Cannot use -kokkos on without KOKKOS installed");
-  } else {
-    kokkos = new KokkosLMP(this,kklast-kkfirst,&arg[kkfirst]);
-    if (!kokkos->kokkos_exists) {
-      delete kokkos;
-      kokkos = NULL;
-    }
   }
 
   MPI_Comm_rank(world,&me);
diff --git a/src/output.cpp b/src/output.cpp
index 6d6be87a91..0383dfe84d 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -515,7 +515,7 @@ void Output::reset_timestep(bigint ntimestep)
     next_thermo = static_cast<bigint>
       (input->variable->compute_equal(ivar_thermo));
     if (next_thermo < ntimestep)
-      error->all(FLERR,"Thermo every variable returned a bad timestep");
+      error->all(FLERR,"Thermo_modify every variable returned a bad timestep");
     update->ntimestep++;
     next_thermo = MIN(next_thermo,update->laststep);
     modify->addstep_compute(next_thermo);
diff --git a/src/rerun.cpp b/src/rerun.cpp
index 55af34da72..0520ab3ddf 100644
--- a/src/rerun.cpp
+++ b/src/rerun.cpp
@@ -127,7 +127,7 @@ void Rerun::command(int narg, char **arg)
   // perform the psuedo run
   // invoke lmp->init() only once
   // read all relevant snapshots
-  // uset setup_minimal() since atoms are already owned by correct procs
+  // use setup_minimal() since atoms are already owned by correct procs
   // addstep_compute_all() insures energy/virial computed on every snapshot
 
   update->whichflag = 1;

From 3428fa652f9797676ad8afb60761bda01d16a5aa Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 4 Jun 2014 15:49:05 +0000
Subject: [PATCH 02/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12065
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 doc/Section_accelerate.html | 12 +++++++-----
 doc/Section_accelerate.txt  | 12 +++++++-----
 doc/Section_start.html      | 32 ++++++++++++++------------------
 doc/Section_start.txt       | 32 ++++++++++++++------------------
 4 files changed, 42 insertions(+), 46 deletions(-)

diff --git a/doc/Section_accelerate.html b/doc/Section_accelerate.html
index 4de4fa10fe..b8820538d1 100644
--- a/doc/Section_accelerate.html
+++ b/doc/Section_accelerate.html
@@ -644,7 +644,10 @@ settings appropriate to your system.
 <P>Additional input script requirements to run styles with a <I>cuda</I>
 suffix are as follows:
 </P>
-<UL><LI>To invoke specific styles from the USER-CUDA package, you can either
+<UL><LI>The <A HREF = "Section_start.html#start_7">-cuda on command-line switch</A> must be
+used when launching LAMMPS to enable the USER-CUDA package. 
+
+<LI>To invoke specific styles from the USER-CUDA package, you can either
 append "cuda" to the style name (e.g. pair_style lj/cut/cuda), or use
 the <A HREF = "Section_start.html#start_7">-suffix command-line switch</A>, or use
 the <A HREF = "suffix.html">suffix</A> command.  One exception is that the
@@ -751,8 +754,8 @@ Details of the various options are discussed below.
 <PRE>make yes-kokkos                           # install the KOKKOS package
 make g++ OMP=yes                          # build with OpenMP, no CUDA 
 </PRE>
-<PRE>mpirun -np 12 lmp_g++ -k off < in.lj      # MPI-only mode with no Kokkos
-mpirun -np 12 lmp_g++ -sf kk < in.lj      # MPI-only mode with Kokkos
+<PRE>mpirun -np 12 lmp_g++ < in.lj      # MPI-only mode with no Kokkos
+mpirun -np 12 lmp_g++ -k on -sf kk < in.lj      # MPI-only mode with Kokkos
 mpirun -np 1 lmp_g++ -k on t 12 -sf kk < in.lj     # one MPI task, 12 threads
 mpirun -np 2 lmp_g++ -k on t 6 -sf kk < in.lj      # two MPI tasks, 6 threads/task 
 </PRE>
@@ -825,8 +828,7 @@ section</A> of the manual.
 </P>
 <P>Here are common options to use:
 </P>
-<UL><LI>-k off : runs an executable built with the KOKKOS pacakage, as
- if Kokkos were not installed. 
+<UL><LI>-k on : required to run any KOKKOS-enabled style 
 
 <LI>-sf kk : enables automatic use of Kokkos versions of atom, pair,
 fix, compute styles if they exist.  This can also be done with more
diff --git a/doc/Section_accelerate.txt b/doc/Section_accelerate.txt
index d115883270..0b1df3fd52 100644
--- a/doc/Section_accelerate.txt
+++ b/doc/Section_accelerate.txt
@@ -640,12 +640,15 @@ settings appropriate to your system.
 Additional input script requirements to run styles with a {cuda}
 suffix are as follows:
 
+The "-cuda on command-line switch"_Section_start.html#start_7 must be
+used when launching LAMMPS to enable the USER-CUDA package. :ulb,l
+
 To invoke specific styles from the USER-CUDA package, you can either
 append "cuda" to the style name (e.g. pair_style lj/cut/cuda), or use
 the "-suffix command-line switch"_Section_start.html#start_7, or use
 the "suffix"_suffix.html command.  One exception is that the
 "kspace_style pppm/cuda"_kspace_style.html command has to be requested
-explicitly. :ulb,l
+explicitly. :l
 
 To use the USER-CUDA package with its default settings, no additional
 command is needed in your input script.  This is because when LAMMPS
@@ -747,8 +750,8 @@ Details of the various options are discussed below.
 make yes-kokkos                           # install the KOKKOS package
 make g++ OMP=yes                          # build with OpenMP, no CUDA :pre
 
-mpirun -np 12 lmp_g++ -k off < in.lj      # MPI-only mode with no Kokkos
-mpirun -np 12 lmp_g++ -sf kk < in.lj      # MPI-only mode with Kokkos
+mpirun -np 12 lmp_g++ < in.lj      # MPI-only mode with no Kokkos
+mpirun -np 12 lmp_g++ -k on -sf kk < in.lj      # MPI-only mode with Kokkos
 mpirun -np 1 lmp_g++ -k on t 12 -sf kk < in.lj     # one MPI task, 12 threads
 mpirun -np 2 lmp_g++ -k on t 6 -sf kk < in.lj      # two MPI tasks, 6 threads/task :pre
 
@@ -821,8 +824,7 @@ section"_Section_start.html#start_7 of the manual.
 
 Here are common options to use:
 
--k off : runs an executable built with the KOKKOS pacakage, as
- if Kokkos were not installed. :ulb,l
+-k on : required to run any KOKKOS-enabled style :ulb,l
 
 -sf kk : enables automatic use of Kokkos versions of atom, pair,
 fix, compute styles if they exist.  This can also be done with more
diff --git a/doc/Section_start.html b/doc/Section_start.html
index 12abe89a3f..74b74d214f 100644
--- a/doc/Section_start.html
+++ b/doc/Section_start.html
@@ -1163,14 +1163,12 @@ mpirun -np 16 lmp_ibm -var f tmp.out -log my.log -screen none < in.alloy
 <PRE>-cuda on/off 
 </PRE>
 <P>Explicitly enable or disable CUDA support, as provided by the
-USER-CUDA package.  If LAMMPS is built with this package, as described
-above in <A HREF = "#start_3">Section 2.3</A>, then by default LAMMPS will run in
-CUDA mode.  If this switch is set to "off", then it will not, even if
-it was built with the USER-CUDA package, which means you can run
-standard LAMMPS or with the GPU package for testing or benchmarking
-purposes.  The only reason to set the switch to "on", is to check if
-LAMMPS was built with the USER-CUDA package, since an error will be
-generated if it was not.
+USER-CUDA package.  Even if LAMMPS is built with this package, as
+described above in <A HREF = "#start_3">Section 2.3</A>, this switch must be set to
+enable running with the CUDA-enhanced styles the package provides.  If
+the switch is not set (the default), LAMMPS will operate as if the
+USER-CUDA package were not installed; i.e. you can run standard LAMMPS
+or with the GPU package, for testing or benchmarking purposes.
 </P>
 <PRE>-echo style 
 </PRE>
@@ -1204,16 +1202,14 @@ used.
 </P>
 <PRE>-kokkos on/off keyword/value ... 
 </PRE>
-<P>Explicitly enable or disable Kokkos support, as provided by the KOKKOS
-package.  If LAMMPS is built with this package, as described above in
-<A HREF = "#start_3">Section 2.3</A>, then by default LAMMPS will run in Kokkos
-mode.  If this switch is set to "off", then it will not, even if it
-was built with the KOKKOS package, which means you can run standard
-LAMMPS styles or use styles enhanced by other acceleration packages,
-such as the GPU or USER-CUDA or USER-OMP packages, for testing or
-benchmarking purposes.  The only reason to set the switch to "on", is
-to check if LAMMPS was built with the KOKKOS package, since an error
-will be generated if it was not.
+<P>Explicitly enable or disable KOKKOS support, as provided by the KOKKOS
+package.  Even if LAMMPS is built with this package, as described
+above in <A HREF = "#start_3">Section 2.3</A>, this switch must be set to enable
+running with the KOKKOS-enhanced styles the package provides.  If the
+switch is not set (the default), LAMMPS will operate as if the KOKKOS
+package were not installed; i.e. you can run standard LAMMPS or with
+the GPU or USER-CUDA or USER-OMP packages, for testing or benchmarking
+purposes.
 </P>
 <P>Additional optional keyword/value pairs can be specified which
 determine how Kokkos will use the underlying hardware on your
diff --git a/doc/Section_start.txt b/doc/Section_start.txt
index 616dfae549..46a01d736f 100644
--- a/doc/Section_start.txt
+++ b/doc/Section_start.txt
@@ -1157,14 +1157,12 @@ Here are the details on the options:
 -cuda on/off :pre
 
 Explicitly enable or disable CUDA support, as provided by the
-USER-CUDA package.  If LAMMPS is built with this package, as described
-above in "Section 2.3"_#start_3, then by default LAMMPS will run in
-CUDA mode.  If this switch is set to "off", then it will not, even if
-it was built with the USER-CUDA package, which means you can run
-standard LAMMPS or with the GPU package for testing or benchmarking
-purposes.  The only reason to set the switch to "on", is to check if
-LAMMPS was built with the USER-CUDA package, since an error will be
-generated if it was not.
+USER-CUDA package.  Even if LAMMPS is built with this package, as
+described above in "Section 2.3"_#start_3, this switch must be set to
+enable running with the CUDA-enhanced styles the package provides.  If
+the switch is not set (the default), LAMMPS will operate as if the
+USER-CUDA package were not installed; i.e. you can run standard LAMMPS
+or with the GPU package, for testing or benchmarking purposes.
 
 -echo style :pre
 
@@ -1198,16 +1196,14 @@ used.
 
 -kokkos on/off keyword/value ... :pre
 
-Explicitly enable or disable Kokkos support, as provided by the KOKKOS
-package.  If LAMMPS is built with this package, as described above in
-"Section 2.3"_#start_3, then by default LAMMPS will run in Kokkos
-mode.  If this switch is set to "off", then it will not, even if it
-was built with the KOKKOS package, which means you can run standard
-LAMMPS styles or use styles enhanced by other acceleration packages,
-such as the GPU or USER-CUDA or USER-OMP packages, for testing or
-benchmarking purposes.  The only reason to set the switch to "on", is
-to check if LAMMPS was built with the KOKKOS package, since an error
-will be generated if it was not.
+Explicitly enable or disable KOKKOS support, as provided by the KOKKOS
+package.  Even if LAMMPS is built with this package, as described
+above in "Section 2.3"_#start_3, this switch must be set to enable
+running with the KOKKOS-enhanced styles the package provides.  If the
+switch is not set (the default), LAMMPS will operate as if the KOKKOS
+package were not installed; i.e. you can run standard LAMMPS or with
+the GPU or USER-CUDA or USER-OMP packages, for testing or benchmarking
+purposes.
 
 Additional optional keyword/value pairs can be specified which
 determine how Kokkos will use the underlying hardware on your

From c4c6bae7dc536d4f97613ec1d7e9ca229491f9be Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 4 Jun 2014 15:51:32 +0000
Subject: [PATCH 03/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12066
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 examples/kokkos/README | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/examples/kokkos/README b/examples/kokkos/README
index fe0ea4de70..63859d8518 100644
--- a/examples/kokkos/README
+++ b/examples/kokkos/README
@@ -19,10 +19,10 @@ make cuda CUDA=yes -> lmp_cuda
 Then the following runs were made.  The "->" means that the run
 produced log.lammps which was then copied to the named log file.
 
-* MPI-only runs
+* MPI-only (non-KOKKOS) runs
 
-lmp_cpu -k off < in.kokkos -> log.kokkos.date.mpionly.1
-mpirun -np 4 lmp_cpu -k off < in.kokkos -> log.kokkos.date.mpionly.4
+lmp_cpu < in.kokkos -> log.kokkos.date.mpionly.1
+mpirun -np 4 lmp_cpu < in.kokkos -> log.kokkos.date.mpionly.4
 
 * OpenMP threaded runs on CPUs only
 

From 63aad352fa18a3855578b65e83f8eacc827ca0b4 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 4 Jun 2014 15:52:51 +0000
Subject: [PATCH 04/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12067
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 bench/GPU/README | 14 +++++++-------
 1 file changed, 7 insertions(+), 7 deletions(-)

diff --git a/bench/GPU/README b/bench/GPU/README
index a85d6302ba..03aeaf8ef9 100644
--- a/bench/GPU/README
+++ b/bench/GPU/README
@@ -20,10 +20,10 @@ summary description.
 ------------------------------------------------------------------------
 
 If the script has "cpu" in its name, it is meant to be run in CPU-only
-mode.  For example:
+mode (without using the GPU or USER-CUDA styles).  For example:
 
-mpirun -np 1 ../lmp_linux_double -c off -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu
-mpirun -np 12 ../lmp_linux_double -c off -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu
+mpirun -np 1 ../lmp_linux_double -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu
+mpirun -np 12 ../lmp_linux_double -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu
 
 The "xyz" settings determine the problem size.  The "t" setting
 determines the number of timesteps.
@@ -33,9 +33,9 @@ determines the number of timesteps.
 If the script has "gpu" in its name, it is meant to be run using
 the GPU package.  For example:
 
-mpirun -np 12 ../lmp_linux_single -sf gpu -c off -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu
+mpirun -np 12 ../lmp_linux_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu
 
-mpirun -np 8 ../lmp_linux_mixed -sf gpu -c off -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu
+mpirun -np 8 ../lmp_linux_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu
 
 The "xyz" settings determine the problem size.  The "t" setting
 determines the number of timesteps.  The "np" setting determines how
@@ -49,9 +49,9 @@ than GPUs (both per compute node) with the GPU package.
 If the script has "cuda" in its name, it is meant to be run using
 the USER-CUDA package.  For example:
 
-mpirun -np 1 ../lmp_linux_single -sf cuda -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cuda
+mpirun -np 1 ../lmp_linux_single -c on -sf cuda -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cuda
 
-mpirun -np 2 ../lmp_linux_double -sf cuda -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.eam.cuda
+mpirun -np 2 ../lmp_linux_double -c on -sf cuda -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.eam.cuda
 
 The "xyz" settings determine the problem size.  The "t" setting
 determines the number of timesteps.  The "np" setting determines how

From 88a3f9d3267375087bea18aaf9b73b98e8e79c26 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 4 Jun 2014 16:06:53 +0000
Subject: [PATCH 05/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12068
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/USER-SPH/fix_meso.cpp | 20 ++++++++++++++++++++
 src/USER-SPH/fix_meso.h   |  1 +
 2 files changed, 21 insertions(+)

diff --git a/src/USER-SPH/fix_meso.cpp b/src/USER-SPH/fix_meso.cpp
index 53e7b66b65..3e827ace81 100644
--- a/src/USER-SPH/fix_meso.cpp
+++ b/src/USER-SPH/fix_meso.cpp
@@ -54,6 +54,7 @@ int FixMeso::setmask() {
   int mask = 0;
   mask |= INITIAL_INTEGRATE;
   mask |= FINAL_INTEGRATE;
+  mask |= PRE_FORCE;
   return mask;
 }
 
@@ -64,6 +65,25 @@ void FixMeso::init() {
   dtf = 0.5 * update->dt * force->ftm2v;
 }
 
+void FixMeso::setup_pre_force(int vflag)
+{
+  // set vest equal to v 
+  double **v = atom->v;
+  double **vest = atom->vest;
+  int *mask = atom->mask;
+  int nlocal = atom->nlocal;
+  if (igroup == atom->firstgroup)
+    nlocal = atom->nfirst;
+
+  for (int i = 0; i < nlocal; i++) {
+    if (mask[i] & groupbit) {
+      vest[i][0] = v[i][0];
+      vest[i][1] = v[i][1];
+      vest[i][2] = v[i][2];
+    }
+  }
+}
+
 /* ----------------------------------------------------------------------
  allow for both per-type and per-atom mass
  ------------------------------------------------------------------------- */
diff --git a/src/USER-SPH/fix_meso.h b/src/USER-SPH/fix_meso.h
index f9fcb5a893..40ddebf3ee 100644
--- a/src/USER-SPH/fix_meso.h
+++ b/src/USER-SPH/fix_meso.h
@@ -29,6 +29,7 @@ class FixMeso : public Fix {
   FixMeso(class LAMMPS *, int, char **);
   int setmask();
   virtual void init();
+  virtual void setup_pre_force(int);
   virtual void initial_integrate(int);
   virtual void final_integrate();
   void reset_dt();

From 1f667449d1920efbf21c547de4a29397345c5022 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 4 Jun 2014 20:52:04 +0000
Subject: [PATCH 06/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12069
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/USER-AWPMD/atom_vec_wavepacket.cpp |  10 ++-
 src/USER-AWPMD/atom_vec_wavepacket.h   |   1 +
 src/USER-EFF/atom_vec_electron.cpp     |   9 +++
 src/USER-EFF/atom_vec_electron.h       |   1 +
 src/USER-SPH/atom_vec_meso.cpp         |  10 +++
 src/USER-SPH/atom_vec_meso.h           |   1 +
 src/atom.cpp                           | 104 ++++++++++++++++++-------
 src/atom.h                             |  19 +++--
 src/atom_vec.h                         |   2 +
 src/min.cpp                            |  32 +++-----
 src/min.h                              |   3 +-
 src/respa.cpp                          |  33 +++-----
 src/respa.h                            |   3 +-
 src/verlet.cpp                         | 100 ++++++------------------
 src/verlet.h                           |   3 +-
 15 files changed, 172 insertions(+), 159 deletions(-)

diff --git a/src/USER-AWPMD/atom_vec_wavepacket.cpp b/src/USER-AWPMD/atom_vec_wavepacket.cpp
index 155ad88ca5..213a770ea1 100644
--- a/src/USER-AWPMD/atom_vec_wavepacket.cpp
+++ b/src/USER-AWPMD/atom_vec_wavepacket.cpp
@@ -17,6 +17,7 @@
 
 #include "math.h"
 #include "stdlib.h"
+#include "string.h"
 #include "atom_vec_wavepacket.h"
 #include "atom.h"
 #include "comm.h"
@@ -37,6 +38,7 @@ AtomVecWavepacket::AtomVecWavepacket(LAMMPS *lmp) : AtomVec(lmp)
 
   mass_type = 1;
   molecular = 0;
+  forceclearflag = 1;
 
   size_forward = 4; // coords[3]+radius[1]
   size_reverse = 10; // force[3]+erforce[1]+ervelforce[1]+vforce[3]+csforce[2]
@@ -108,7 +110,6 @@ void AtomVecWavepacket::grow_reset()
   vforce = atom->vforce;
   ervelforce = atom->ervelforce;
   etag = atom->etag;
-
 }
 
 /* ----------------------------------------------------------------------
@@ -143,6 +144,13 @@ void AtomVecWavepacket::copy(int i, int j, int delflag)
       modify->fix[atom->extra_grow[iextra]]->copy_arrays(i,j,delflag);
 }
 
+/* ---------------------------------------------------------------------- */
+
+void AtomVecWavepacket::force_clear(int n, size_t nbytes)
+{
+  memset(&erforce[n],0,nbytes);
+}
+
 /* ---------------------------------------------------------------------- */
 // this will be used as partial pack for unsplit Hartree packets (v, ervel not regarded as separate variables)
 
diff --git a/src/USER-AWPMD/atom_vec_wavepacket.h b/src/USER-AWPMD/atom_vec_wavepacket.h
index 8265e817e7..2e13687ad9 100644
--- a/src/USER-AWPMD/atom_vec_wavepacket.h
+++ b/src/USER-AWPMD/atom_vec_wavepacket.h
@@ -36,6 +36,7 @@ public:
   void grow(int);
   void grow_reset();
   void copy(int, int, int);
+  void force_clear(int, size_t);
   int pack_comm(int, int *, double *, int, int *);
   int pack_comm_vel(int, int *, double *, int, int *);
   int pack_comm_hybrid(int, int *, double *);
diff --git a/src/USER-EFF/atom_vec_electron.cpp b/src/USER-EFF/atom_vec_electron.cpp
index 41837f1263..7b658f5c25 100644
--- a/src/USER-EFF/atom_vec_electron.cpp
+++ b/src/USER-EFF/atom_vec_electron.cpp
@@ -17,6 +17,7 @@
 
 #include "math.h"
 #include "stdlib.h"
+#include "string.h"
 #include "atom_vec_electron.h"
 #include "atom.h"
 #include "comm.h"
@@ -51,6 +52,7 @@ AtomVecElectron::AtomVecElectron(LAMMPS *lmp) : AtomVec(lmp)
 
   mass_type = 1;
   molecular = 0;
+  forceclearflag = 1;
 
   size_forward = 4;
   size_reverse = 4;
@@ -140,6 +142,13 @@ void AtomVecElectron::copy(int i, int j, int delflag)
 
 /* ---------------------------------------------------------------------- */
 
+void AtomVecElectron::force_clear(int n, size_t nbytes)
+{
+  memset(&erforce[n],0,nbytes);
+}
+
+/* ---------------------------------------------------------------------- */
+
 int AtomVecElectron::pack_comm(int n, int *list, double *buf,
                                int pbc_flag, int *pbc)
 {
diff --git a/src/USER-EFF/atom_vec_electron.h b/src/USER-EFF/atom_vec_electron.h
index f604613599..6a202c47fe 100644
--- a/src/USER-EFF/atom_vec_electron.h
+++ b/src/USER-EFF/atom_vec_electron.h
@@ -31,6 +31,7 @@ class AtomVecElectron : public AtomVec {
   void grow(int);
   void grow_reset();
   void copy(int, int, int);
+  void force_clear(int, size_t);
   int pack_comm(int, int *, double *, int, int *);
   int pack_comm_vel(int, int *, double *, int, int *);
   int pack_comm_hybrid(int, int *, double *);
diff --git a/src/USER-SPH/atom_vec_meso.cpp b/src/USER-SPH/atom_vec_meso.cpp
index 3a57776d94..a3e1b87888 100644
--- a/src/USER-SPH/atom_vec_meso.cpp
+++ b/src/USER-SPH/atom_vec_meso.cpp
@@ -11,6 +11,7 @@
  See the README file in the top-level LAMMPS directory.
  ------------------------------------------------------------------------- */
 
+#include "string.h"
 #include "stdlib.h"
 #include "atom_vec_meso.h"
 #include "atom.h"
@@ -29,6 +30,7 @@ AtomVecMeso::AtomVecMeso(LAMMPS *lmp) : AtomVec(lmp)
 {
   molecular = 0;
   mass_type = 1;
+  forceclearflag = 1;
 
   comm_x_only = 0; // we communicate not only x forward but also vest ...
   comm_f_only = 0; // we also communicate de and drho in reverse direction
@@ -131,6 +133,14 @@ void AtomVecMeso::copy(int i, int j, int delflag) {
 
 /* ---------------------------------------------------------------------- */
 
+void AtomVecMeso::force_clear(int n, size_t nbytes)
+{
+  memset(&de[n],0,nbytes);
+  memset(&drho[n],0,nbytes);
+}
+
+/* ---------------------------------------------------------------------- */
+
 int AtomVecMeso::pack_comm_hybrid(int n, int *list, double *buf) {
   //printf("in AtomVecMeso::pack_comm_hybrid\n");
   int i, j, m;
diff --git a/src/USER-SPH/atom_vec_meso.h b/src/USER-SPH/atom_vec_meso.h
index aff8b76727..6f50b44c22 100644
--- a/src/USER-SPH/atom_vec_meso.h
+++ b/src/USER-SPH/atom_vec_meso.h
@@ -31,6 +31,7 @@ class AtomVecMeso : public AtomVec {
   void grow(int);
   void grow_reset();
   void copy(int, int, int);
+  void force_clear(int, size_t);
   int pack_comm(int, int *, double *, int, int *);
   int pack_comm_vel(int, int *, double *, int, int *);
   void unpack_comm(int, int, double *);
diff --git a/src/atom.cpp b/src/atom.cpp
index cb394e44ed..1d47b11148 100644
--- a/src/atom.cpp
+++ b/src/atom.cpp
@@ -79,16 +79,17 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
   mu = NULL;
   omega = angmom = torque = NULL;
   radius = rmass = NULL;
+  ellipsoid = line = tri = body = NULL;
+
   vfrac = s0 = NULL;
   x0 = NULL;
-  ellipsoid = line = tri = body = NULL;
+
   spin = NULL;
   eradius = ervel = erforce = NULL;
   cs = csforce = vforce = ervelforce = NULL;
   etag = NULL;
-  rho = drho = NULL;
-  e = de = NULL;
-  cv = NULL;
+
+  rho = drho = e = de = cv = NULL;
   vest = NULL;
 
   bond_per_atom =  extra_bond_per_atom = 0;
@@ -130,14 +131,19 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
   // initialize atom style and array existence flags
   // customize by adding new flag
 
-  sphere_flag = ellipsoid_flag = line_flag = tri_flag = body_flag = 0;
-  peri_flag = electron_flag = 0;
+  sphere_flag = peri_flag = electron_flag = 0;
   wavepacket_flag = sph_flag = 0;
 
-  molecule_flag = q_flag = mu_flag = 0;
-  rmass_flag = radius_flag = omega_flag = torque_flag = angmom_flag = 0;
-  vfrac_flag = spin_flag = eradius_flag = ervel_flag = erforce_flag = 0;
-  cs_flag = csforce_flag = vforce_flag = ervelforce_flag= etag_flag = 0;
+  molecule_flag = 0;
+  q_flag = mu_flag = 0;
+  omega_flag = torque_flag = angmom_flag = 0;
+  radius_flag = rmass_flag = 0;
+  ellipsoid_flag = line_flag = tri_flag = body_flag = 0;
+
+  vfrac_flag = 0;
+  spin_flag = eradius_flag = ervel_flag = erforce_flag = ervelforce_flag = 0;
+  cs_flag = csforce_flag = vforce_flag = etag_flag = 0;
+
   rho_flag = e_flag = cv_flag = vest_flag = 0;
 
   // Peridynamic scale factor
@@ -200,6 +206,10 @@ Atom::~Atom()
   memory->destroy(v);
   memory->destroy(f);
 
+  memory->destroy(molecule);
+  memory->destroy(molindex);
+  memory->destroy(molatom);
+
   memory->destroy(q);
   memory->destroy(mu);
   memory->destroy(omega);
@@ -207,21 +217,31 @@ Atom::~Atom()
   memory->destroy(torque);
   memory->destroy(radius);
   memory->destroy(rmass);
-  memory->destroy(vfrac);
-  memory->destroy(s0);
-  memory->destroy(x0);
   memory->destroy(ellipsoid);
   memory->destroy(line);
   memory->destroy(tri);
   memory->destroy(body);
+
+  memory->destroy(vfrac);
+  memory->destroy(s0);
+  memory->destroy(x0);
+
   memory->destroy(spin);
   memory->destroy(eradius);
   memory->destroy(ervel);
   memory->destroy(erforce);
+  memory->destroy(ervelforce);
+  memory->destroy(cs);
+  memory->destroy(csforce);
+  memory->destroy(vforce);
+  memory->destroy(etag);
 
-  memory->destroy(molecule);
-  memory->destroy(molindex);
-  memory->destroy(molatom);
+  memory->destroy(rho);
+  memory->destroy(drho);
+  memory->destroy(e);
+  memory->destroy(de);
+  memory->destroy(cv);
+  memory->destroy(vest);
 
   memory->destroy(nspecial);
   memory->destroy(special);
@@ -250,11 +270,6 @@ Atom::~Atom()
   memory->destroy(improper_atom3);
   memory->destroy(improper_atom4);
 
-  // delete user-defined molecules
-
-  for (int i = 0; i < nmolecule; i++) delete molecules[i];
-  memory->sfree(molecules);
-
   // delete custom atom arrays
 
   for (int i = 0; i < nivector; i++) {
@@ -271,6 +286,11 @@ Atom::~Atom()
   memory->sfree(ivector);
   memory->sfree(dvector);
 
+  // delete user-defined molecules
+
+  for (int i = 0; i < nmolecule; i++) delete molecules[i];
+  memory->sfree(molecules);
+
   // delete per-type arrays
 
   delete [] mass;
@@ -320,12 +340,20 @@ void Atom::create_avec(const char *style, int narg, char **arg, char *suffix)
   // may have been set by old avec
   // customize by adding new flag
 
-  sphere_flag = ellipsoid_flag = line_flag = tri_flag = 0;
-  peri_flag = electron_flag = 0;
+  sphere_flag = peri_flag = electron_flag = 0;
+  wavepacket_flag = sph_flag = 0;
 
-  molecule_flag = q_flag = mu_flag = 0;
-  rmass_flag = radius_flag = omega_flag = torque_flag = angmom_flag = 0;
-  vfrac_flag = spin_flag = eradius_flag = ervel_flag = erforce_flag = 0;
+  molecule_flag = 0;
+  q_flag = mu_flag = 0;
+  omega_flag = torque_flag = angmom_flag = 0;
+  radius_flag = rmass_flag = 0;
+  ellipsoid_flag = line_flag = tri_flag = body_flag = 0;
+
+  vfrac_flag = 0;
+  spin_flag = eradius_flag = ervel_flag = erforce_flag = ervelforce_flag = 0;
+  cs_flag = csforce_flag = vforce_flag = etag_flag = 0;
+
+  rho_flag = e_flag = cv_flag = vest_flag = 0;
 
   // create instance of AtomVec
   // use grow() to initialize atom-based arrays to length 1
@@ -1867,12 +1895,34 @@ void *Atom::extract(char *name)
   if (strcmp(name,"q") == 0) return (void *) q;
   if (strcmp(name,"mu") == 0) return (void *) mu;
   if (strcmp(name,"omega") == 0) return (void *) omega;
-  if (strcmp(name,"amgmom") == 0) return (void *) angmom;
+  if (strcmp(name,"angmom") == 0) return (void *) angmom;
   if (strcmp(name,"torque") == 0) return (void *) torque;
   if (strcmp(name,"radius") == 0) return (void *) radius;
   if (strcmp(name,"rmass") == 0) return (void *) rmass;
+  if (strcmp(name,"ellipsoid") == 0) return (void *) ellipsoid;
+  if (strcmp(name,"line") == 0) return (void *) line;
+  if (strcmp(name,"tri") == 0) return (void *) tri;
+
   if (strcmp(name,"vfrac") == 0) return (void *) vfrac;
   if (strcmp(name,"s0") == 0) return (void *) s0;
+  if (strcmp(name,"x0") == 0) return (void *) x0;
+
+  if (strcmp(name,"spin") == 0) return (void *) spin;
+  if (strcmp(name,"eradius") == 0) return (void *) eradius;
+  if (strcmp(name,"ervel") == 0) return (void *) ervel;
+  if (strcmp(name,"erforce") == 0) return (void *) erforce;
+  if (strcmp(name,"ervelforce") == 0) return (void *) ervelforce;
+  if (strcmp(name,"cs") == 0) return (void *) cs;
+  if (strcmp(name,"csforce") == 0) return (void *) csforce;
+  if (strcmp(name,"vforce") == 0) return (void *) vforce;
+  if (strcmp(name,"etag") == 0) return (void *) etag;
+
+  if (strcmp(name,"rho") == 0) return (void *) rho;
+  if (strcmp(name,"drho") == 0) return (void *) drho;
+  if (strcmp(name,"e") == 0) return (void *) e;
+  if (strcmp(name,"de") == 0) return (void *) de;
+  if (strcmp(name,"cv") == 0) return (void *) cv;
+  if (strcmp(name,"vest") == 0) return (void *) vest;
 
   return NULL;
 }
diff --git a/src/atom.h b/src/atom.h
index 5887b17c39..c6bebe88a9 100644
--- a/src/atom.h
+++ b/src/atom.h
@@ -53,19 +53,28 @@ class Atom : protected Pointers {
 
   tagint *molecule;
   int *molindex,*molatom;
+
   double *q,**mu;
   double **omega,**angmom,**torque;
-  double *radius,*rmass,*vfrac,*s0;
-  double **x0;
+  double *radius,*rmass;
   int *ellipsoid,*line,*tri,*body;
+
+  // PERI package
+
+  double *vfrac,*s0;
+  double **x0;
+
+  // USER-EFF and USER-AWPMD packages
+
   int *spin;
   double *eradius,*ervel,*erforce,*ervelforce;
   double *cs,*csforce,*vforce;
   int *etag;
-  double *rho,*drho;
-  double *e,*de;
+
+  // USER-SPH package
+
+  double *rho,*drho,*e,*de,*cv;
   double **vest;
-  double *cv;
 
   int **nspecial;               // 0,1,2 = cummulative # of 1-2,1-3,1-4 neighs
   tagint **special;             // IDs of 1-2,1-3,1-4 neighs of each atom
diff --git a/src/atom_vec.h b/src/atom_vec.h
index 8e9bb0f518..a58e7c6e95 100644
--- a/src/atom_vec.h
+++ b/src/atom_vec.h
@@ -39,6 +39,7 @@ class AtomVec : protected Pointers {
   int size_data_bonus;                 // number of values in Bonus line
   int xcol_data;                       // column (1-N) where x is in Atom line
 
+  int forceclearflag;                  // 1 if has forceclear() method
   class Molecule **onemols;            // list of molecules for style template
   int nset;                            // # of molecules in list
 
@@ -59,6 +60,7 @@ class AtomVec : protected Pointers {
   virtual void grow_reset() = 0;
   virtual void copy(int, int, int) = 0;
   virtual void clear_bonus() {}
+  virtual void force_clear(int, size_t) {}
 
   virtual int pack_comm(int, int *, double *, int, int *) = 0;
   virtual int pack_comm_vel(int, int *, double *, int, int *) = 0;
diff --git a/src/min.cpp b/src/min.cpp
index 7093af4e41..116173b2d5 100644
--- a/src/min.cpp
+++ b/src/min.cpp
@@ -24,6 +24,7 @@
 #include "string.h"
 #include "min.h"
 #include "atom.h"
+#include "atom_vec.h"
 #include "domain.h"
 #include "comm.h"
 #include "update.h"
@@ -139,17 +140,11 @@ void Min::init()
   int ifix = modify->find_fix("package_omp");
   if (ifix >= 0) external_force_clear = 1;
 
-  // set flags for what arrays to clear in force_clear()
-  // need to clear additionals arrays if they exist
+  // set flags for arrays to clear in force_clear()
 
-  torqueflag = 0;
+  torqueflag = extraflag = 0;
   if (atom->torque_flag) torqueflag = 1;
-  erforceflag = 0;
-  if (atom->erforce_flag) erforceflag = 1;
-  e_flag = 0;
-  if (atom->e_flag) e_flag = 1;
-  rho_flag = 0;
-  if (atom->rho_flag) rho_flag = 1;
+  if (atom->avec->forceclearflag) extraflag = 1;
 
   // allow pair and Kspace compute() to be turned off via modify flags
 
@@ -540,7 +535,7 @@ double Min::energy_force(int resetflag)
 
 /* ----------------------------------------------------------------------
    clear force on own & ghost atoms
-   setup and clear other arrays as needed
+   clear other arrays as needed
 ------------------------------------------------------------------------- */
 
 void Min::force_clear()
@@ -548,20 +543,15 @@ void Min::force_clear()
   if (external_force_clear) return;
 
   // clear global force array
-  // nall includes ghosts only if either newton flag is set
+  // if either newton flag is set, also include ghosts
 
-  int nall;
-  if (force->newton) nall = atom->nlocal + atom->nghost;
-  else nall = atom->nlocal;
-
-  size_t nbytes = sizeof(double) * nall;
+  size_t nbytes = sizeof(double) * atom->nlocal;
+  if (force->newton) nbytes += sizeof(double) * atom->nghost;
 
   if (nbytes) {
-    memset(&(atom->f[0][0]),0,3*nbytes);
-    if (torqueflag)  memset(&(atom->torque[0][0]),0,3*nbytes);
-    if (erforceflag) memset(&(atom->erforce[0]),  0,  nbytes);
-    if (e_flag)      memset(&(atom->de[0]),       0,  nbytes);
-    if (rho_flag)    memset(&(atom->drho[0]),     0,  nbytes);
+    memset(&atom->f[0][0],0,3*nbytes);
+    if (torqueflag) memset(&atom->torque[0][0],0,3*nbytes);
+    if (extraflag) atom->avec->force_clear(0,nbytes);
   }
 }
 
diff --git a/src/min.h b/src/min.h
index 2ba3e5cb22..fc78fd8735 100644
--- a/src/min.h
+++ b/src/min.h
@@ -63,8 +63,7 @@ class Min : protected Pointers {
 
   int triclinic;              // 0 if domain is orthog, 1 if triclinic
   int pairflag;
-  int torqueflag,erforceflag;
-  int e_flag,rho_flag;
+  int torqueflag,extraflag;
 
   int pair_compute_flag;            // 0 if pair->compute is skipped
   int kspace_compute_flag;          // 0 if kspace->compute is skipped
diff --git a/src/respa.cpp b/src/respa.cpp
index 720527d6f6..b648b8bfc6 100644
--- a/src/respa.cpp
+++ b/src/respa.cpp
@@ -20,6 +20,7 @@
 #include "respa.h"
 #include "neighbor.h"
 #include "atom.h"
+#include "atom_vec.h"
 #include "domain.h"
 #include "comm.h"
 #include "force.h"
@@ -283,17 +284,11 @@ void Respa::init()
   int ifix = modify->find_fix("package_omp");
   if (ifix >= 0) external_force_clear = 1;
 
-  // set flags for what arrays to clear in force_clear()
-  // need to clear additionals arrays if they exist
+  // set flags for arrays to clear in force_clear()
 
-  torqueflag = 0;
+  torqueflag = extraflag = 0;
   if (atom->torque_flag) torqueflag = 1;
-  erforceflag = 0;
-  if (atom->erforce_flag) erforceflag = 1;
-  e_flag = 0;
-  if (atom->e_flag) e_flag = 1;
-  rho_flag = 0;
-  if (atom->rho_flag) rho_flag = 1;
+  if (atom->avec->forceclearflag) extraflag = 1;
 
   // step[] = timestep for each level
 
@@ -626,6 +621,7 @@ void Respa::recurse(int ilevel)
 
 /* ----------------------------------------------------------------------
    clear force on own & ghost atoms
+   clear other arrays as needed
 ------------------------------------------------------------------------- */
 
 void Respa::force_clear(int newtonflag)
@@ -633,20 +629,15 @@ void Respa::force_clear(int newtonflag)
   if (external_force_clear) return;
 
   // clear global force array
-  // nall includes ghosts only if newton flag is set
+  // if either newton flag is set, also include ghosts
 
-  int nall;
-  if (newtonflag) nall = atom->nlocal + atom->nghost;
-  else nall = atom->nlocal;
+  size_t nbytes = sizeof(double) * atom->nlocal;
+  if (force->newton) nbytes += sizeof(double) * atom->nghost;
 
-  size_t nbytes = sizeof(double) * nall;
-
-  if (nbytes > 0 ) {
-    memset(&(atom->f[0][0]),0,3*nbytes);
-    if (torqueflag)  memset(&(atom->torque[0][0]),0,3*nbytes);
-    if (erforceflag) memset(&(atom->erforce[0]),  0,  nbytes);
-    if (e_flag)      memset(&(atom->de[0]),       0,  nbytes);
-    if (rho_flag)    memset(&(atom->drho[0]),     0,  nbytes);
+  if (nbytes) {
+    memset(&atom->f[0][0],0,3*nbytes);
+    if (torqueflag) memset(&atom->torque[0][0],0,3*nbytes);
+    if (extraflag) atom->avec->force_clear(0,nbytes);
   }
 }
 
diff --git a/src/respa.h b/src/respa.h
index 26a719867d..f8dbb9d06c 100644
--- a/src/respa.h
+++ b/src/respa.h
@@ -53,8 +53,7 @@ class Respa : public Integrate {
 
  protected:
   int triclinic;                    // 0 if domain is orthog, 1 if triclinic
-  int torqueflag,erforceflag;
-  int e_flag,rho_flag;
+  int torqueflag,extraflag;
 
   int *newton;                      // newton flag at each level
   class FixRespa *fix_respa;        // Fix to store the force level array
diff --git a/src/verlet.cpp b/src/verlet.cpp
index f6c6a3ccf9..fa5c11e3dc 100644
--- a/src/verlet.cpp
+++ b/src/verlet.cpp
@@ -17,6 +17,7 @@
 #include "domain.h"
 #include "comm.h"
 #include "atom.h"
+#include "atom_vec.h"
 #include "force.h"
 #include "pair.h"
 #include "bond.h"
@@ -69,17 +70,11 @@ void Verlet::init()
   int ifix = modify->find_fix("package_omp");
   if (ifix >= 0) external_force_clear = 1;
 
-  // set flags for what arrays to clear in force_clear()
-  // need to clear additionals arrays if they exist
+  // set flags for arrays to clear in force_clear()
 
-  torqueflag = 0;
+  torqueflag = extraflag = 0;
   if (atom->torque_flag) torqueflag = 1;
-  erforceflag = 0;
-  if (atom->erforce_flag) erforceflag = 1;
-  e_flag = 0;
-  if (atom->e_flag) e_flag = 1;
-  rho_flag = 0;
-  if (atom->rho_flag) rho_flag = 1;
+  if (atom->avec->forceclearflag) extraflag = 1;
 
   // orthogonal vs triclinic simulation box
 
@@ -330,6 +325,7 @@ void Verlet::cleanup()
 void Verlet::force_clear()
 {
   int i;
+  size_t nbytes;
 
   if (external_force_clear) return;
 
@@ -337,19 +333,16 @@ void Verlet::force_clear()
   // if either newton flag is set, also include ghosts
   // when using threads always clear all forces.
 
-  if (neighbor->includegroup == 0) {
-    int nall;
-    if (force->newton) nall = atom->nlocal + atom->nghost;
-    else nall = atom->nlocal;
+  int nlocal = atom->nlocal;
 
-    size_t nbytes = sizeof(double) * nall;
+  if (neighbor->includegroup == 0) {
+    nbytes = sizeof(double) * nlocal;
+    if (force->newton) nbytes += sizeof(double) * atom->nghost;
 
     if (nbytes) {
-      memset(&(atom->f[0][0]),0,3*nbytes);
-      if (torqueflag)  memset(&(atom->torque[0][0]),0,3*nbytes);
-      if (erforceflag) memset(&(atom->erforce[0]),  0,  nbytes);
-      if (e_flag)      memset(&(atom->de[0]),       0,  nbytes);
-      if (rho_flag)    memset(&(atom->drho[0]),     0,  nbytes);
+      memset(&atom->f[0][0],0,3*nbytes);
+      if (torqueflag) memset(&atom->torque[0][0],0,3*nbytes);
+      if (extraflag) atom->avec->force_clear(0,nbytes);
     }
 
   // neighbor includegroup flag is set
@@ -357,70 +350,21 @@ void Verlet::force_clear()
   // if either newton flag is set, also include ghosts
 
   } else {
-    int nall = atom->nfirst;
+    nbytes = sizeof(double) * atom->nfirst;
 
-    double **f = atom->f;
-    for (i = 0; i < nall; i++) {
-      f[i][0] = 0.0;
-      f[i][1] = 0.0;
-      f[i][2] = 0.0;
-    }
-
-    if (torqueflag) {
-      double **torque = atom->torque;
-      for (i = 0; i < nall; i++) {
-        torque[i][0] = 0.0;
-        torque[i][1] = 0.0;
-        torque[i][2] = 0.0;
-      }
-    }
-
-    if (erforceflag) {
-      double *erforce = atom->erforce;
-      for (i = 0; i < nall; i++) erforce[i] = 0.0;
-    }
-
-    if (e_flag) {
-      double *de = atom->de;
-      for (i = 0; i < nall; i++) de[i] = 0.0;
-    }
-
-    if (rho_flag) {
-      double *drho = atom->drho;
-      for (i = 0; i < nall; i++) drho[i] = 0.0;
+    if (nbytes) {
+      memset(&atom->f[0][0],0,3*nbytes);
+      if (torqueflag) memset(&atom->torque[0][0],0,3*nbytes);
+      if (extraflag) atom->avec->force_clear(0,nbytes);
     }
 
     if (force->newton) {
-      nall = atom->nlocal + atom->nghost;
+      nbytes = sizeof(double) * atom->nghost;
 
-      for (i = atom->nlocal; i < nall; i++) {
-        f[i][0] = 0.0;
-        f[i][1] = 0.0;
-        f[i][2] = 0.0;
-      }
-
-      if (torqueflag) {
-        double **torque = atom->torque;
-        for (i = atom->nlocal; i < nall; i++) {
-          torque[i][0] = 0.0;
-          torque[i][1] = 0.0;
-          torque[i][2] = 0.0;
-        }
-      }
-
-      if (erforceflag) {
-        double *erforce = atom->erforce;
-        for (i = atom->nlocal; i < nall; i++) erforce[i] = 0.0;
-      }
-
-      if (e_flag) {
-        double *de = atom->de;
-        for (i = 0; i < nall; i++) de[i] = 0.0;
-      }
-
-      if (rho_flag) {
-        double *drho = atom->drho;
-        for (i = 0; i < nall; i++) drho[i] = 0.0;
+      if (nbytes) {
+        memset(&atom->f[nlocal][0],0,3*nbytes);
+        if (torqueflag) memset(&atom->torque[nlocal][0],0,3*nbytes);
+        if (extraflag) atom->avec->force_clear(nlocal,nbytes);
       }
     }
   }
diff --git a/src/verlet.h b/src/verlet.h
index 970d9b1c1d..07aaf012e0 100644
--- a/src/verlet.h
+++ b/src/verlet.h
@@ -36,8 +36,7 @@ class Verlet : public Integrate {
 
  protected:
   int triclinic;                    // 0 if domain is orthog, 1 if triclinic
-  int torqueflag,erforceflag;
-  int e_flag,rho_flag;
+  int torqueflag,extraflag;
 
   virtual void force_clear();
 };

From 58a3ddffd5092f2c04ee642d591136431a3e12b5 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 4 Jun 2014 21:27:34 +0000
Subject: [PATCH 07/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12070
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 doc/Section_start.html         |  4 ++--
 doc/Section_start.txt          |  4 ++--
 doc/compute_property_atom.html | 27 ++++++++++++++++++++++-----
 doc/compute_property_atom.txt  | 25 +++++++++++++++++++++----
 doc/pair_buck_long.html        |  2 +-
 doc/pair_buck_long.txt         |  2 +-
 doc/pair_style.html            |  2 +-
 doc/pair_style.txt             |  2 +-
 8 files changed, 51 insertions(+), 17 deletions(-)

diff --git a/doc/Section_start.html b/doc/Section_start.html
index 74b74d214f..274223250b 100644
--- a/doc/Section_start.html
+++ b/doc/Section_start.html
@@ -1165,7 +1165,7 @@ mpirun -np 16 lmp_ibm -var f tmp.out -log my.log -screen none < in.alloy
 <P>Explicitly enable or disable CUDA support, as provided by the
 USER-CUDA package.  Even if LAMMPS is built with this package, as
 described above in <A HREF = "#start_3">Section 2.3</A>, this switch must be set to
-enable running with the CUDA-enhanced styles the package provides.  If
+enable running with the CUDA-enabled styles the package provides.  If
 the switch is not set (the default), LAMMPS will operate as if the
 USER-CUDA package were not installed; i.e. you can run standard LAMMPS
 or with the GPU package, for testing or benchmarking purposes.
@@ -1205,7 +1205,7 @@ used.
 <P>Explicitly enable or disable KOKKOS support, as provided by the KOKKOS
 package.  Even if LAMMPS is built with this package, as described
 above in <A HREF = "#start_3">Section 2.3</A>, this switch must be set to enable
-running with the KOKKOS-enhanced styles the package provides.  If the
+running with the KOKKOS-enabled styles the package provides.  If the
 switch is not set (the default), LAMMPS will operate as if the KOKKOS
 package were not installed; i.e. you can run standard LAMMPS or with
 the GPU or USER-CUDA or USER-OMP packages, for testing or benchmarking
diff --git a/doc/Section_start.txt b/doc/Section_start.txt
index 46a01d736f..52fec57ee2 100644
--- a/doc/Section_start.txt
+++ b/doc/Section_start.txt
@@ -1159,7 +1159,7 @@ Here are the details on the options:
 Explicitly enable or disable CUDA support, as provided by the
 USER-CUDA package.  Even if LAMMPS is built with this package, as
 described above in "Section 2.3"_#start_3, this switch must be set to
-enable running with the CUDA-enhanced styles the package provides.  If
+enable running with the CUDA-enabled styles the package provides.  If
 the switch is not set (the default), LAMMPS will operate as if the
 USER-CUDA package were not installed; i.e. you can run standard LAMMPS
 or with the GPU package, for testing or benchmarking purposes.
@@ -1199,7 +1199,7 @@ used.
 Explicitly enable or disable KOKKOS support, as provided by the KOKKOS
 package.  Even if LAMMPS is built with this package, as described
 above in "Section 2.3"_#start_3, this switch must be set to enable
-running with the KOKKOS-enhanced styles the package provides.  If the
+running with the KOKKOS-enabled styles the package provides.  If the
 switch is not set (the default), LAMMPS will operate as if the KOKKOS
 package were not installed; i.e. you can run standard LAMMPS or with
 the GPU or USER-CUDA or USER-OMP packages, for testing or benchmarking
diff --git a/doc/compute_property_atom.html b/doc/compute_property_atom.html
index bbf71ff36d..0e8b883fee 100644
--- a/doc/compute_property_atom.html
+++ b/doc/compute_property_atom.html
@@ -29,15 +29,17 @@
 			angmomx, angmomy, angmomz,
 			shapex,shapey, shapez,
 		        quatw, quati, quatj, quatk, tqx, tqy, tqz,
-			spin, eradius, ervel, erforce
 			end1x, end1y, end1z, end2x, end2y, end2z,
 			corner1x, corner1y, corner1z,
 			corner2x, corner2y, corner2z,
 			corner3x, corner3y, corner3z,
 			nbonds,
+			spin, eradius, ervel, erforce, ervelforce,
+                        cs, csforce, vforce, etag,
+                        rho, drho, e, de, cv, vestx, vesty, vestz,
                         i_name, d_name 
 </PRE>
-<PRE>      id = atom ID
+<P>      id = atom ID
       mol = molecule ID
       type = atom type
       mass = atom mass
@@ -56,13 +58,28 @@
       shapex,shapey,shapez = 3 diameters of aspherical particle
       quatw,quati,quatj,quatk = quaternion components for aspherical or body particles
       tqx,tqy,tqz = torque on finite-size particles
+      end12x, end12y, end12z = end points of line segment
+      corner123x, corner123y, corner123z = corner points of triangle
+      nbonds = number of bonds
+</P>
+<P>      PERI package per-atom properties:
+      vfrac = ???
+      s0 = ???
+</P>
+<P>      USER-EFF and USER-AWPMD package per-atom properties:
       spin = electron spin
       eradius = electron radius
       ervel = electron radial velocity
       erforce = electron radial force
-      end12x, end12y, end12z = end points of line segment
-      corner123x, corner123y, corner123z = corner points of triangle
-      nbonds = number of bonds
+</P>
+<P>      USER-SPH package per-atom properties:
+      rho = ???
+      drho = ???
+      e = ???
+      de = ???
+      cv = ???
+</P>
+<PRE>      <A HREF = "fix_property_atom.html">fix property/atom</A> per-atom properties:
       i_name = custom integer vector with name
       d_name = custom integer vector with name 
 </PRE>
diff --git a/doc/compute_property_atom.txt b/doc/compute_property_atom.txt
index 0ae271ad25..1a58a26202 100644
--- a/doc/compute_property_atom.txt
+++ b/doc/compute_property_atom.txt
@@ -23,12 +23,14 @@ input = one or more atom attributes :l
 			angmomx, angmomy, angmomz,
 			shapex,shapey, shapez,
 		        quatw, quati, quatj, quatk, tqx, tqy, tqz,
-			spin, eradius, ervel, erforce
 			end1x, end1y, end1z, end2x, end2y, end2z,
 			corner1x, corner1y, corner1z,
 			corner2x, corner2y, corner2z,
 			corner3x, corner3y, corner3z,
 			nbonds,
+			spin, eradius, ervel, erforce, ervelforce,
+                        cs, csforce, vforce, etag,
+                        rho, drho, e, de, cv, vestx, vesty, vestz,
                         i_name, d_name :pre
       id = atom ID
       mol = molecule ID
@@ -49,13 +51,28 @@ input = one or more atom attributes :l
       shapex,shapey,shapez = 3 diameters of aspherical particle
       quatw,quati,quatj,quatk = quaternion components for aspherical or body particles
       tqx,tqy,tqz = torque on finite-size particles
+      end12x, end12y, end12z = end points of line segment
+      corner123x, corner123y, corner123z = corner points of triangle
+      nbonds = number of bonds
+
+      PERI package per-atom properties:
+      vfrac = ???
+      s0 = ???
+
+      USER-EFF and USER-AWPMD package per-atom properties:
       spin = electron spin
       eradius = electron radius
       ervel = electron radial velocity
       erforce = electron radial force
-      end12x, end12y, end12z = end points of line segment
-      corner123x, corner123y, corner123z = corner points of triangle
-      nbonds = number of bonds
+
+      USER-SPH package per-atom properties:
+      rho = ???
+      drho = ???
+      e = ???
+      de = ???
+      cv = ???
+
+      "fix property/atom"_fix_property_atom.html per-atom properties:
       i_name = custom integer vector with name
       d_name = custom integer vector with name :pre
 :ule
diff --git a/doc/pair_buck_long.html b/doc/pair_buck_long.html
index 2316d7d534..7c41f28ee9 100644
--- a/doc/pair_buck_long.html
+++ b/doc/pair_buck_long.html
@@ -35,7 +35,7 @@
 </P>
 <PRE>pair_style buck/long/coul/long cut off 2.5
 pair_style buck/long/coul/long cut long 2.5 4.0
-pair_style buck/long/coul/long long long 2.5 4.0
+pair_style buck/long/coul/long long long 4.0
 pair_coeff * * 1 1
 pair_coeff 1 1 1 3 4 
 </PRE>
diff --git a/doc/pair_buck_long.txt b/doc/pair_buck_long.txt
index b8e96214c2..4555c8e351 100644
--- a/doc/pair_buck_long.txt
+++ b/doc/pair_buck_long.txt
@@ -26,7 +26,7 @@ cutoff2 = global cutoff for Coulombic (optional) (distance units) :l,ule
 
 pair_style buck/long/coul/long cut off 2.5
 pair_style buck/long/coul/long cut long 2.5 4.0
-pair_style buck/long/coul/long long long 2.5 4.0
+pair_style buck/long/coul/long long long 4.0
 pair_coeff * * 1 1
 pair_coeff 1 1 1 3 4 :pre
 
diff --git a/doc/pair_style.html b/doc/pair_style.html
index eafbe4c59a..ed0fdee2a5 100644
--- a/doc/pair_style.html
+++ b/doc/pair_style.html
@@ -117,7 +117,7 @@ in the pair section of <A HREF = "Section_commands.html#cmd_5">this page</A>.
 <LI><A HREF = "pair_buck.html">pair_style buck/coul/cut</A> - Buckingham with cutoff Coulomb
 <LI><A HREF = "pair_buck.html">pair_style buck/coul/long</A> - Buckingham with long-range Coulombics
 <LI><A HREF = "pair_buck.html">pair_style buck/coul/msm</A> - Buckingham long-range MSM Coulombics
-<LI><A HREF = "pair_buck.html">pair_style buck/long/coul/long</A> - long-range Buckingham with long-range Coulombics
+<LI><A HREF = "pair_buck_long.html">pair_style buck/long/coul/long</A> - long-range Buckingham with long-range Coulombics
 <LI><A HREF = "pair_colloid.html">pair_style colloid</A> - integrated colloidal potential
 <LI><A HREF = "pair_comb.html">pair_style comb</A> - charge-optimized many-body (COMB) potential
 <LI><A HREF = "pair_comb.html">pair_style comb3</A> - charge-optimized many-body (COMB3) potential
diff --git a/doc/pair_style.txt b/doc/pair_style.txt
index 9115d34347..5cda9ef681 100644
--- a/doc/pair_style.txt
+++ b/doc/pair_style.txt
@@ -114,7 +114,7 @@ in the pair section of "this page"_Section_commands.html#cmd_5.
 "pair_style buck/coul/cut"_pair_buck.html - Buckingham with cutoff Coulomb
 "pair_style buck/coul/long"_pair_buck.html - Buckingham with long-range Coulombics
 "pair_style buck/coul/msm"_pair_buck.html - Buckingham long-range MSM Coulombics
-"pair_style buck/long/coul/long"_pair_buck.html - long-range Buckingham with long-range Coulombics
+"pair_style buck/long/coul/long"_pair_buck_long.html - long-range Buckingham with long-range Coulombics
 "pair_style colloid"_pair_colloid.html - integrated colloidal potential
 "pair_style comb"_pair_comb.html - charge-optimized many-body (COMB) potential
 "pair_style comb3"_pair_comb.html - charge-optimized many-body (COMB3) potential

From fa1d80c9d8028251b385db63c3e77a1c7aa199c2 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 4 Jun 2014 21:31:23 +0000
Subject: [PATCH 08/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12071
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 doc/compute_property_atom.txt | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/doc/compute_property_atom.txt b/doc/compute_property_atom.txt
index 1a58a26202..21e18c3e81 100644
--- a/doc/compute_property_atom.txt
+++ b/doc/compute_property_atom.txt
@@ -53,24 +53,24 @@ input = one or more atom attributes :l
       tqx,tqy,tqz = torque on finite-size particles
       end12x, end12y, end12z = end points of line segment
       corner123x, corner123y, corner123z = corner points of triangle
-      nbonds = number of bonds
+      nbonds = number of bonds :pre
 
       PERI package per-atom properties:
       vfrac = ???
-      s0 = ???
+      s0 = ??? :pre
 
       USER-EFF and USER-AWPMD package per-atom properties:
       spin = electron spin
       eradius = electron radius
       ervel = electron radial velocity
-      erforce = electron radial force
+      erforce = electron radial force :pre
 
       USER-SPH package per-atom properties:
       rho = ???
       drho = ???
       e = ???
       de = ???
-      cv = ???
+      cv = ??? :pre
 
       "fix property/atom"_fix_property_atom.html per-atom properties:
       i_name = custom integer vector with name

From c7fc1ead1f571bd8cc8ab4ba6eeec7d6519d9fc4 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 4 Jun 2014 21:31:27 +0000
Subject: [PATCH 09/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12072
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 doc/compute_property_atom.html | 24 ++++++++++++------------
 1 file changed, 12 insertions(+), 12 deletions(-)

diff --git a/doc/compute_property_atom.html b/doc/compute_property_atom.html
index 0e8b883fee..e00f03d8a8 100644
--- a/doc/compute_property_atom.html
+++ b/doc/compute_property_atom.html
@@ -39,7 +39,7 @@
                         rho, drho, e, de, cv, vestx, vesty, vestz,
                         i_name, d_name 
 </PRE>
-<P>      id = atom ID
+<PRE>      id = atom ID
       mol = molecule ID
       type = atom type
       mass = atom mass
@@ -60,25 +60,25 @@
       tqx,tqy,tqz = torque on finite-size particles
       end12x, end12y, end12z = end points of line segment
       corner123x, corner123y, corner123z = corner points of triangle
-      nbonds = number of bonds
-</P>
-<P>      PERI package per-atom properties:
+      nbonds = number of bonds 
+</PRE>
+<PRE>      PERI package per-atom properties:
       vfrac = ???
-      s0 = ???
-</P>
-<P>      USER-EFF and USER-AWPMD package per-atom properties:
+      s0 = ??? 
+</PRE>
+<PRE>      USER-EFF and USER-AWPMD package per-atom properties:
       spin = electron spin
       eradius = electron radius
       ervel = electron radial velocity
-      erforce = electron radial force
-</P>
-<P>      USER-SPH package per-atom properties:
+      erforce = electron radial force 
+</PRE>
+<PRE>      USER-SPH package per-atom properties:
       rho = ???
       drho = ???
       e = ???
       de = ???
-      cv = ???
-</P>
+      cv = ??? 
+</PRE>
 <PRE>      <A HREF = "fix_property_atom.html">fix property/atom</A> per-atom properties:
       i_name = custom integer vector with name
       d_name = custom integer vector with name 

From 47b6b3bb41cd3e94bb9bcb3d5ef965c947152f4d Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 4 Jun 2014 22:12:23 +0000
Subject: [PATCH 10/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12073
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/atom_vec.cpp              |  1 +
 src/atom_vec.h                |  5 +-
 src/atom_vec_hybrid.cpp       |  9 ++++
 src/atom_vec_hybrid.h         |  1 +
 src/compute_property_atom.cpp | 97 ++++++-----------------------------
 src/compute_property_atom.h   |  6 +--
 6 files changed, 32 insertions(+), 87 deletions(-)

diff --git a/src/atom_vec.cpp b/src/atom_vec.cpp
index 06c61caa2f..6606f7cf20 100644
--- a/src/atom_vec.cpp
+++ b/src/atom_vec.cpp
@@ -31,6 +31,7 @@ AtomVec::AtomVec(LAMMPS *lmp) : Pointers(lmp)
   nmax = 0;
   bonds_allow = angles_allow = dihedrals_allow = impropers_allow = 0;
   mass_type = dipole_type = 0;
+  forceclearflag = 0;
   size_data_bonus = 0;
   cudable = kokkosable = 0;
 
diff --git a/src/atom_vec.h b/src/atom_vec.h
index a58e7c6e95..6267df36fe 100644
--- a/src/atom_vec.h
+++ b/src/atom_vec.h
@@ -26,6 +26,7 @@ class AtomVec : protected Pointers {
   int dihedrals_allow,impropers_allow; // 1 if dihedrals, impropers used
   int mass_type;                       // 1 if per-type masses
   int dipole_type;                     // 1 if per-type dipole moments
+  int forceclearflag;                  // 1 if has forceclear() method
 
   int comm_x_only;                     // 1 if only exchange x in forward comm
   int comm_f_only;                     // 1 if only exchange f in reverse comm
@@ -39,7 +40,6 @@ class AtomVec : protected Pointers {
   int size_data_bonus;                 // number of values in Bonus line
   int xcol_data;                       // column (1-N) where x is in Atom line
 
-  int forceclearflag;                  // 1 if has forceclear() method
   class Molecule **onemols;            // list of molecules for style template
   int nset;                            // # of molecules in list
 
@@ -113,6 +113,9 @@ class AtomVec : protected Pointers {
   void write_dihedral(FILE *, int, tagint **, int);
   void pack_improper(tagint **);
   void write_improper(FILE *, int, tagint **, int);
+ 
+  virtual int property_atom(char *) {return -1;}
+  virtual void pack_property_atom(int, double *, int, int) {}
 
   virtual bigint memory_usage() = 0;
 
diff --git a/src/atom_vec_hybrid.cpp b/src/atom_vec_hybrid.cpp
index 210e5f5338..88ebe6d343 100644
--- a/src/atom_vec_hybrid.cpp
+++ b/src/atom_vec_hybrid.cpp
@@ -107,6 +107,7 @@ void AtomVecHybrid::process_args(int narg, char **arg)
     impropers_allow = MAX(impropers_allow,styles[k]->impropers_allow);
     mass_type = MAX(mass_type,styles[k]->mass_type);
     dipole_type = MAX(dipole_type,styles[k]->dipole_type);
+    forceclearflag = MAX(forceclearflag,styles[k]->forceclearflag);
 
     comm_x_only = MIN(comm_x_only,styles[k]->comm_x_only);
     comm_f_only = MIN(comm_f_only,styles[k]->comm_f_only);
@@ -202,6 +203,14 @@ void AtomVecHybrid::clear_bonus()
 
 /* ---------------------------------------------------------------------- */
 
+void AtomVecHybrid::force_clear(int n, size_t nbytes)
+{
+  for (int k = 0; k < nstyles; k++) 
+    if (styles[k]->forceclearflag) styles[k]->force_clear(n,nbytes);
+}
+
+/* ---------------------------------------------------------------------- */
+
 int AtomVecHybrid::pack_comm(int n, int *list, double *buf,
                              int pbc_flag, int *pbc)
 {
diff --git a/src/atom_vec_hybrid.h b/src/atom_vec_hybrid.h
index 856be87c22..b5d2826c9a 100644
--- a/src/atom_vec_hybrid.h
+++ b/src/atom_vec_hybrid.h
@@ -39,6 +39,7 @@ class AtomVecHybrid : public AtomVec {
   void grow_reset();
   void copy(int, int, int);
   void clear_bonus();
+  void force_clear(int, size_t);
   int pack_comm(int, int *, double *, int, int *);
   int pack_comm_vel(int, int *, double *, int, int *);
   void unpack_comm(int, int, double *);
diff --git a/src/compute_property_atom.cpp b/src/compute_property_atom.cpp
index 23d8fb8226..da88caf325 100644
--- a/src/compute_property_atom.cpp
+++ b/src/compute_property_atom.cpp
@@ -16,6 +16,7 @@
 #include "compute_property_atom.h"
 #include "math_extra.h"
 #include "atom.h"
+#include "atom_vec.h"
 #include "atom_vec_ellipsoid.h"
 #include "atom_vec_line.h"
 #include "atom_vec_tri.h"
@@ -239,27 +240,6 @@ ComputePropertyAtom::ComputePropertyAtom(LAMMPS *lmp, int narg, char **arg) :
                    "atom property that isn't allocated");
       pack_choice[i] = &ComputePropertyAtom::pack_tqz;
 
-    } else if (strcmp(arg[iarg],"spin") == 0) {
-      if (!atom->spin_flag)
-        error->all(FLERR,"Compute property/atom for "
-                   "atom property that isn't allocated");
-      pack_choice[i] = &ComputePropertyAtom::pack_spin;
-    } else if (strcmp(arg[iarg],"eradius") == 0) {
-      if (!atom->eradius_flag)
-        error->all(FLERR,"Compute property/atom for "
-                   "atom property that isn't allocated");
-      pack_choice[i] = &ComputePropertyAtom::pack_eradius;
-    } else if (strcmp(arg[iarg],"ervel") == 0) {
-      if (!atom->ervel_flag)
-        error->all(FLERR,"Compute property/atom for "
-                   "atom property that isn't allocated");
-      pack_choice[i] = &ComputePropertyAtom::pack_ervel;
-    } else if (strcmp(arg[iarg],"erforce") == 0) {
-      if (!atom->erforce_flag)
-        error->all(FLERR,"Compute property/atom for "
-                   "atom property that isn't allocated");
-      pack_choice[i] = &ComputePropertyAtom::pack_erforce;
-
     } else if (strcmp(arg[iarg],"end1x") == 0) {
       avec_line = (AtomVecLine *) atom->style_match("line");
       if (!avec_line) error->all(FLERR,"Compute property/atom for "
@@ -342,6 +322,7 @@ ComputePropertyAtom::ComputePropertyAtom(LAMMPS *lmp, int narg, char **arg) :
         error->all(FLERR,"Compute property/atom for "
                    "atom property that isn't allocated");
       pack_choice[i] = &ComputePropertyAtom::pack_nbonds;
+
     } else if (strstr(arg[iarg],"i_") == arg[iarg]) {
       int flag;
       index[i] = atom->find_custom(&arg[iarg][2],flag);
@@ -357,7 +338,12 @@ ComputePropertyAtom::ComputePropertyAtom(LAMMPS *lmp, int narg, char **arg) :
                    "vector does not exist");
       pack_choice[i] = &ComputePropertyAtom::pack_dname;
 
-    } else error->all(FLERR,"Invalid keyword in compute property/atom command");
+    } else {
+      index[i] = atom->avec->property_atom(arg[iarg]);
+      if (index[i] < 0)
+        error->all(FLERR,"Invalid keyword in compute property/atom command");
+      pack_choice[i] = &ComputePropertyAtom::pack_property_atom;
+    }
   }
 
   nmax = 0;
@@ -1341,66 +1327,6 @@ void ComputePropertyAtom::pack_tqz(int n)
 
 /* ---------------------------------------------------------------------- */
 
-void ComputePropertyAtom::pack_spin(int n)
-{
-  int *spin = atom->spin;
-  int *mask = atom->mask;
-  int nlocal = atom->nlocal;
-
-  for (int i = 0; i < nlocal; i++) {
-    if (mask[i] & groupbit) buf[n] = spin[i];
-    else buf[n] = 0.0;
-    n += nvalues;
-  }
-}
-
-/* ---------------------------------------------------------------------- */
-
-void ComputePropertyAtom::pack_eradius(int n)
-{
-  double *eradius = atom->eradius;
-  int *mask = atom->mask;
-  int nlocal = atom->nlocal;
-
-  for (int i = 0; i < nlocal; i++) {
-    if (mask[i] & groupbit) buf[n] = eradius[i];
-    else buf[n] = 0.0;
-    n += nvalues;
-  }
-}
-
-/* ---------------------------------------------------------------------- */
-
-void ComputePropertyAtom::pack_ervel(int n)
-{
-  double *ervel = atom->ervel;
-  int *mask = atom->mask;
-  int nlocal = atom->nlocal;
-
-  for (int i = 0; i < nlocal; i++) {
-    if (mask[i] & groupbit) buf[n] = ervel[i];
-    else buf[n] = 0.0;
-    n += nvalues;
-  }
-}
-
-/* ---------------------------------------------------------------------- */
-
-void ComputePropertyAtom::pack_erforce(int n)
-{
-  double *erforce = atom->erforce;
-  int *mask = atom->mask;
-  int nlocal = atom->nlocal;
-
-  for (int i = 0; i < nlocal; i++) {
-    if (mask[i] & groupbit) buf[n] = erforce[i];
-    else buf[n] = 0.0;
-    n += nvalues;
-  }
-}
-
-/* ---------------------------------------------------------------------- */
-
 void ComputePropertyAtom::pack_end1x(int n)
 {
   AtomVecLine::Bonus *bonus = avec_line->bonus;
@@ -1734,3 +1660,10 @@ void ComputePropertyAtom::pack_dname(int n)
     n += nvalues;
   }
 }
+
+/* ---------------------------------------------------------------------- */
+
+void ComputePropertyAtom::pack_property_atom(int n)
+{
+  atom->avec->pack_property_atom(index[n],&buf[n],nvalues,groupbit);
+}
diff --git a/src/compute_property_atom.h b/src/compute_property_atom.h
index 01e623011d..8b4e958573 100644
--- a/src/compute_property_atom.h
+++ b/src/compute_property_atom.h
@@ -101,10 +101,6 @@ class ComputePropertyAtom : public Compute {
   void pack_tqx(int);
   void pack_tqy(int);
   void pack_tqz(int);
-  void pack_spin(int);
-  void pack_eradius(int);
-  void pack_ervel(int);
-  void pack_erforce(int);
   void pack_end1x(int);
   void pack_end1y(int);
   void pack_end1z(int);
@@ -125,6 +121,8 @@ class ComputePropertyAtom : public Compute {
 
   void pack_iname(int);
   void pack_dname(int);
+
+  void pack_property_atom(int);
 };
 
 }

From 23a05b2ddd96f4f382aaf726f0e6666a3400f941 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 4 Jun 2014 22:24:04 +0000
Subject: [PATCH 11/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12074
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/PERI/atom_vec_peri.cpp |  40 ++++++++++++++
 src/PERI/atom_vec_peri.h   |   2 +
 src/dump_custom.cpp        | 103 +------------------------------------
 src/dump_custom.h          |   4 --
 4 files changed, 43 insertions(+), 106 deletions(-)

diff --git a/src/PERI/atom_vec_peri.cpp b/src/PERI/atom_vec_peri.cpp
index 165c9bc462..a5fafb04a0 100644
--- a/src/PERI/atom_vec_peri.cpp
+++ b/src/PERI/atom_vec_peri.cpp
@@ -17,6 +17,7 @@
 
 #include "float.h"
 #include "stdlib.h"
+#include "string.h"
 #include "atom_vec_peri.h"
 #include "atom.h"
 #include "comm.h"
@@ -894,6 +895,45 @@ int AtomVecPeri::write_data_hybrid(FILE *fp, double *buf)
   return 2;
 }
 
+/* ----------------------------------------------------------------------
+   assign an index to named atom property and return index
+   return -1 if name is unknown to this atom style
+------------------------------------------------------------------------- */
+
+int AtomVecPeri::property_atom(char *name)
+{
+  if (strcmp(name,"vfrac") == 0) return 0;
+  if (strcmp(name,"s0") == 0) return 1;
+  return -1;
+}
+
+/* ----------------------------------------------------------------------
+   pack per-atom data into buf for ComputePropertyAtom
+   index maps to data specific to this atom style
+------------------------------------------------------------------------- */
+
+void AtomVecPeri::pack_property_atom(int index, double *buf, 
+                                     int nvalues, int groupbit)
+{
+  int *mask = atom->mask;
+  int nlocal = atom->nlocal;
+  int n = 0;
+
+  if (index == 0) {
+    for (int i = 0; i < nlocal; i++) {
+      if (mask[i] & groupbit) buf[n] = vfrac[i];
+      else buf[n] = 0.0;
+      n += nvalues;
+    }
+  } else if (index == 1) {
+    for (int i = 0; i < nlocal; i++) {
+      if (mask[i] & groupbit) buf[n] = s0[i];
+      else buf[n] = 0.0;
+      n += nvalues;
+    }
+  }
+}
+
 /* ----------------------------------------------------------------------
    return # of bytes of allocated memory
 ------------------------------------------------------------------------- */
diff --git a/src/PERI/atom_vec_peri.h b/src/PERI/atom_vec_peri.h
index d33d99d4fb..fba71b5bba 100755
--- a/src/PERI/atom_vec_peri.h
+++ b/src/PERI/atom_vec_peri.h
@@ -56,6 +56,8 @@ class AtomVecPeri : public AtomVec {
   int pack_data_hybrid(int, double *);
   void write_data(FILE *, int, double **);
   int write_data_hybrid(FILE *, double *);
+  int property_atom(char *);
+  void pack_property_atom(int, double *, int, int);
   bigint memory_usage();
 
  private:
diff --git a/src/dump_custom.cpp b/src/dump_custom.cpp
index bafe82882a..860f084058 100644
--- a/src/dump_custom.cpp
+++ b/src/dump_custom.cpp
@@ -41,7 +41,7 @@ enum{ID,MOL,TYPE,ELEMENT,MASS,
      VX,VY,VZ,FX,FY,FZ,
      Q,MUX,MUY,MUZ,MU,RADIUS,DIAMETER,
      OMEGAX,OMEGAY,OMEGAZ,ANGMOMX,ANGMOMY,ANGMOMZ,
-     TQX,TQY,TQZ,SPIN,ERADIUS,ERVEL,ERFORCE,
+     TQX,TQY,TQZ,
      COMPUTE,FIX,VARIABLE};
 enum{LT,LE,GT,GE,EQ,NEQ};
 enum{INT,DOUBLE,STRING,BIGINT};    // same as in DumpCFG
@@ -804,33 +804,6 @@ int DumpCustom::count()
         ptr = &atom->torque[0][2];
         nstride = 3;
 
-      } else if (thresh_array[ithresh] == SPIN) {
-        if (!atom->spin_flag)
-          error->all(FLERR,
-                     "Threshhold for an atom property that isn't allocated");
-        int *spin = atom->spin;
-        for (i = 0; i < nlocal; i++) dchoose[i] = spin[i];
-        ptr = dchoose;
-        nstride = 1;
-      } else if (thresh_array[ithresh] == ERADIUS) {
-        if (!atom->eradius_flag)
-          error->all(FLERR,
-                     "Threshhold for an atom property that isn't allocated");
-        ptr = atom->eradius;
-        nstride = 1;
-      } else if (thresh_array[ithresh] == ERVEL) {
-        if (!atom->ervel_flag)
-          error->all(FLERR,
-                     "Threshhold for an atom property that isn't allocated");
-        ptr = atom->ervel;
-        nstride = 1;
-      } else if (thresh_array[ithresh] == ERFORCE) {
-        if (!atom->erforce_flag)
-          error->all(FLERR,
-                     "Threshhold for an atom property that isn't allocated");
-        ptr = atom->erforce;
-        nstride = 1;
-
       } else if (thresh_array[ithresh] == COMPUTE) {
         i = nfield + ithresh;
         if (argindex[i] == 0) {
@@ -1171,27 +1144,6 @@ int DumpCustom::parse_fields(int narg, char **arg)
       pack_choice[i] = &DumpCustom::pack_tqz;
       vtype[i] = DOUBLE;
 
-    } else if (strcmp(arg[iarg],"spin") == 0) {
-      if (!atom->spin_flag)
-        error->all(FLERR,"Dumping an atom quantity that isn't allocated");
-      pack_choice[i] = &DumpCustom::pack_spin;
-      vtype[i] = INT;
-    } else if (strcmp(arg[iarg],"eradius") == 0) {
-      if (!atom->eradius_flag)
-        error->all(FLERR,"Dumping an atom quantity that isn't allocated");
-      pack_choice[i] = &DumpCustom::pack_eradius;
-      vtype[i] = DOUBLE;
-    } else if (strcmp(arg[iarg],"ervel") == 0) {
-      if (!atom->ervel_flag)
-        error->all(FLERR,"Dumping an atom quantity that isn't allocated");
-      pack_choice[i] = &DumpCustom::pack_ervel;
-      vtype[i] = DOUBLE;
-    } else if (strcmp(arg[iarg],"erforce") == 0) {
-      if (!atom->erforce_flag)
-        error->all(FLERR,"Dumping an atom quantity that isn't allocated");
-      pack_choice[i] = &DumpCustom::pack_erforce;
-      vtype[i] = DOUBLE;
-
     // compute value = c_ID
     // if no trailing [], then arg is set to 0, else arg is int between []
 
@@ -1506,11 +1458,6 @@ int DumpCustom::modify_param(int narg, char **arg)
     else if (strcmp(arg[1],"tqy") == 0) thresh_array[nthresh] = TQY;
     else if (strcmp(arg[1],"tqz") == 0) thresh_array[nthresh] = TQZ;
 
-    else if (strcmp(arg[1],"spin") == 0) thresh_array[nthresh] = SPIN;
-    else if (strcmp(arg[1],"eradius") == 0) thresh_array[nthresh] = ERADIUS;
-    else if (strcmp(arg[1],"ervel") == 0) thresh_array[nthresh] = ERVEL;
-    else if (strcmp(arg[1],"erforce") == 0) thresh_array[nthresh] = ERFORCE;
-
     // compute value = c_ID
     // if no trailing [], then arg is set to 0, else arg is between []
     // must grow field2index and argindex arrays, since access is beyond nfield
@@ -2418,51 +2365,3 @@ void DumpCustom::pack_tqz(int n)
     n += size_one;
   }
 }
-
-/* ---------------------------------------------------------------------- */
-
-void DumpCustom::pack_spin(int n)
-{
-  int *spin = atom->spin;
-
-  for (int i = 0; i < nchoose; i++) {
-    buf[n] = spin[clist[i]];
-    n += size_one;
-  }
-}
-
-/* ---------------------------------------------------------------------- */
-
-void DumpCustom::pack_eradius(int n)
-{
-  double *eradius = atom->eradius;
-
-  for (int i = 0; i < nchoose; i++) {
-    buf[n] = eradius[clist[i]];
-    n += size_one;
-  }
-}
-
-/* ---------------------------------------------------------------------- */
-
-void DumpCustom::pack_ervel(int n)
-{
-  double *ervel = atom->ervel;
-
-  for (int i = 0; i < nchoose; i++) {
-    buf[n] = ervel[clist[i]];
-    n += size_one;
-  }
-}
-
-/* ---------------------------------------------------------------------- */
-
-void DumpCustom::pack_erforce(int n)
-{
-  double *erforce = atom->erforce;
-
-  for (int i = 0; i < nchoose; i++) {
-    buf[n] = erforce[clist[i]];
-    n += size_one;
-  }
-}
diff --git a/src/dump_custom.h b/src/dump_custom.h
index 87753095cb..3d32a3fce6 100644
--- a/src/dump_custom.h
+++ b/src/dump_custom.h
@@ -168,10 +168,6 @@ class DumpCustom : public Dump {
   void pack_tqx(int);
   void pack_tqy(int);
   void pack_tqz(int);
-  void pack_spin(int);
-  void pack_eradius(int);
-  void pack_ervel(int);
-  void pack_erforce(int);
 };
 
 }

From 01820feacdc4e74e37bdadfc46f9cf3e5478d202 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 4 Jun 2014 22:30:13 +0000
Subject: [PATCH 12/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12075
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/USER-AWPMD/atom_vec_wavepacket.cpp | 53 ++++++++++++++++++++++++++
 src/USER-AWPMD/atom_vec_wavepacket.h   |  2 +
 src/USER-EFF/atom_vec_electron.cpp     | 53 ++++++++++++++++++++++++++
 src/USER-EFF/atom_vec_electron.h       |  2 +
 src/compute_property_atom.cpp          |  2 +
 5 files changed, 112 insertions(+)

diff --git a/src/USER-AWPMD/atom_vec_wavepacket.cpp b/src/USER-AWPMD/atom_vec_wavepacket.cpp
index 213a770ea1..525262af0c 100644
--- a/src/USER-AWPMD/atom_vec_wavepacket.cpp
+++ b/src/USER-AWPMD/atom_vec_wavepacket.cpp
@@ -1109,6 +1109,59 @@ int AtomVecWavepacket::write_vel_hybrid(FILE *fp, double *buf)
   return 1;
 }
 
+/* ----------------------------------------------------------------------
+   assign an index to named atom property and return index
+   return -1 if name is unknown to this atom style
+------------------------------------------------------------------------- */
+
+int AtomVecWavepacket::property_atom(char *name)
+{
+  if (strcmp(name,"spin") == 0) return 0;
+  if (strcmp(name,"eradius") == 0) return 1;
+  if (strcmp(name,"ervel") == 0) return 2;
+  if (strcmp(name,"erforce") == 0) return 3;
+  return -1;
+}
+
+/* ----------------------------------------------------------------------
+   pack per-atom data into buf for ComputePropertyAtom
+   index maps to data specific to this atom style
+------------------------------------------------------------------------- */
+
+void AtomVecWavepacket::pack_property_atom(int index, double *buf, 
+                                           int nvalues, int groupbit)
+{
+  int *mask = atom->mask;
+  int nlocal = atom->nlocal;
+  int n = 0;
+
+  if (index == 0) {
+    for (int i = 0; i < nlocal; i++) {
+      if (mask[i] & groupbit) buf[n] = spin[i];
+      else buf[n] = 0.0;
+      n += nvalues;
+    }
+  } else if (index == 1) {
+    for (int i = 0; i < nlocal; i++) {
+      if (mask[i] & groupbit) buf[n] = eradius[i];
+      else buf[n] = 0.0;
+      n += nvalues;
+    }
+  } else if (index == 2) {
+    for (int i = 0; i < nlocal; i++) {
+      if (mask[i] & groupbit) buf[n] = ervel[i];
+      else buf[n] = 0.0;
+      n += nvalues;
+    }
+  } else if (index == 3) {
+    for (int i = 0; i < nlocal; i++) {
+      if (mask[i] & groupbit) buf[n] = erforce[i];
+      else buf[n] = 0.0;
+      n += nvalues;
+    }
+  }
+}
+
 /* ----------------------------------------------------------------------
    return # of bytes of allocated memory
 ------------------------------------------------------------------------- */
diff --git a/src/USER-AWPMD/atom_vec_wavepacket.h b/src/USER-AWPMD/atom_vec_wavepacket.h
index 2e13687ad9..fd8a29583c 100644
--- a/src/USER-AWPMD/atom_vec_wavepacket.h
+++ b/src/USER-AWPMD/atom_vec_wavepacket.h
@@ -71,6 +71,8 @@ public:
   int pack_vel_hybrid(int, double *);
   void write_vel(FILE *, int, double **);
   int write_vel_hybrid(FILE *, double *);
+  int property_atom(char *);
+  void pack_property_atom(int, double *, int, int);
   bigint memory_usage();
 
 private:
diff --git a/src/USER-EFF/atom_vec_electron.cpp b/src/USER-EFF/atom_vec_electron.cpp
index 7b658f5c25..5935c71402 100644
--- a/src/USER-EFF/atom_vec_electron.cpp
+++ b/src/USER-EFF/atom_vec_electron.cpp
@@ -973,6 +973,59 @@ int AtomVecElectron::write_vel_hybrid(FILE *fp, double *buf)
   return 1;
 }
 
+/* ----------------------------------------------------------------------
+   assign an index to named atom property and return index
+   return -1 if name is unknown to this atom style
+------------------------------------------------------------------------- */
+
+int AtomVecElectron::property_atom(char *name)
+{
+  if (strcmp(name,"spin") == 0) return 0;
+  if (strcmp(name,"eradius") == 0) return 1;
+  if (strcmp(name,"ervel") == 0) return 2;
+  if (strcmp(name,"erforce") == 0) return 3;
+  return -1;
+}
+
+/* ----------------------------------------------------------------------
+   pack per-atom data into buf for ComputePropertyAtom
+   index maps to data specific to this atom style
+------------------------------------------------------------------------- */
+
+void AtomVecElectron::pack_property_atom(int index, double *buf, 
+                                         int nvalues, int groupbit)
+{
+  int *mask = atom->mask;
+  int nlocal = atom->nlocal;
+  int n = 0;
+
+  if (index == 0) {
+    for (int i = 0; i < nlocal; i++) {
+      if (mask[i] & groupbit) buf[n] = spin[i];
+      else buf[n] = 0.0;
+      n += nvalues;
+    }
+  } else if (index == 1) {
+    for (int i = 0; i < nlocal; i++) {
+      if (mask[i] & groupbit) buf[n] = eradius[i];
+      else buf[n] = 0.0;
+      n += nvalues;
+    }
+  } else if (index == 2) {
+    for (int i = 0; i < nlocal; i++) {
+      if (mask[i] & groupbit) buf[n] = ervel[i];
+      else buf[n] = 0.0;
+      n += nvalues;
+    }
+  } else if (index == 3) {
+    for (int i = 0; i < nlocal; i++) {
+      if (mask[i] & groupbit) buf[n] = erforce[i];
+      else buf[n] = 0.0;
+      n += nvalues;
+    }
+  }
+}
+
 /* ----------------------------------------------------------------------
    return # of bytes of allocated memory
 ------------------------------------------------------------------------- */
diff --git a/src/USER-EFF/atom_vec_electron.h b/src/USER-EFF/atom_vec_electron.h
index 6a202c47fe..23faa2994b 100644
--- a/src/USER-EFF/atom_vec_electron.h
+++ b/src/USER-EFF/atom_vec_electron.h
@@ -66,6 +66,8 @@ class AtomVecElectron : public AtomVec {
   int pack_vel_hybrid(int, double *);
   void write_vel(FILE *, int, double **);
   int write_vel_hybrid(FILE *, double *);
+  int property_atom(char *);
+  void pack_property_atom(int, double *, int, int);
   bigint memory_usage();
 
  private:
diff --git a/src/compute_property_atom.cpp b/src/compute_property_atom.cpp
index da88caf325..0c20744a5c 100644
--- a/src/compute_property_atom.cpp
+++ b/src/compute_property_atom.cpp
@@ -338,6 +338,8 @@ ComputePropertyAtom::ComputePropertyAtom(LAMMPS *lmp, int narg, char **arg) :
                    "vector does not exist");
       pack_choice[i] = &ComputePropertyAtom::pack_dname;
 
+    // check if atom style recognizes keyword
+
     } else {
       index[i] = atom->avec->property_atom(arg[iarg]);
       if (index[i] < 0)

From b220b43477c1a7da2cdcd958cb8a984d3eff82dd Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 4 Jun 2014 22:51:05 +0000
Subject: [PATCH 13/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12076
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/atom_vec_hybrid.cpp | 28 ++++++++++++++++++++++++++++
 src/atom_vec_hybrid.h   |  2 ++
 2 files changed, 30 insertions(+)

diff --git a/src/atom_vec_hybrid.cpp b/src/atom_vec_hybrid.cpp
index 88ebe6d343..0d82dd327b 100644
--- a/src/atom_vec_hybrid.cpp
+++ b/src/atom_vec_hybrid.cpp
@@ -1002,6 +1002,34 @@ void AtomVecHybrid::write_vel(FILE *fp, int n, double **buf)
   }
 }
 
+/* ----------------------------------------------------------------------
+   assign an index to named atom property and return index
+   returned value encodes which sub-style and index returned by sub-style
+   return -1 if name is unknown to any sub-styles
+------------------------------------------------------------------------- */
+
+int AtomVecHybrid::property_atom(char *name)
+{
+  for (int k = 0; k < nstyles; k++) {
+    int index = styles[k]->property_atom(name);
+    if (index >= 0) return index*nstyles + k;
+  }
+  return -1;
+}
+
+/* ----------------------------------------------------------------------
+   pack per-atom data into buf for ComputePropertyAtom
+   index maps to data specific to this atom style
+------------------------------------------------------------------------- */
+
+void AtomVecHybrid::pack_property_atom(int multiindex, double *buf, 
+                                       int nvalues, int groupbit)
+{
+  int k = multiindex % nstyles;
+  int index = multiindex/nstyles;
+  styles[k]->pack_property_atom(index,buf,nvalues,groupbit);
+}
+
 /* ----------------------------------------------------------------------
    allstyles = list of all atom styles in this LAMMPS executable
 ------------------------------------------------------------------------- */
diff --git a/src/atom_vec_hybrid.h b/src/atom_vec_hybrid.h
index b5d2826c9a..90358525ed 100644
--- a/src/atom_vec_hybrid.h
+++ b/src/atom_vec_hybrid.h
@@ -63,6 +63,8 @@ class AtomVecHybrid : public AtomVec {
   void write_data(FILE *, int, double **);
   void pack_vel(double **);
   void write_vel(FILE *, int, double **);
+  int property_atom(char *);
+  void pack_property_atom(int, double *, int, int);
   bigint memory_usage();
 
  private:

From fdc8a4f83b81e4d33090971f5e375bbde4fbf7a9 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 4 Jun 2014 22:54:45 +0000
Subject: [PATCH 14/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12077
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/USER-SPH/atom_vec_meso.cpp | 60 ++++++++++++++++++++++++++++++++++
 src/USER-SPH/atom_vec_meso.h   |  2 ++
 2 files changed, 62 insertions(+)

diff --git a/src/USER-SPH/atom_vec_meso.cpp b/src/USER-SPH/atom_vec_meso.cpp
index a3e1b87888..e4677703db 100644
--- a/src/USER-SPH/atom_vec_meso.cpp
+++ b/src/USER-SPH/atom_vec_meso.cpp
@@ -943,6 +943,66 @@ int AtomVecMeso::write_data_hybrid(FILE *fp, double *buf)
   return 3;
 }
 
+/* ----------------------------------------------------------------------
+   assign an index to named atom property and return index
+   return -1 if name is unknown to this atom style
+------------------------------------------------------------------------- */
+
+int AtomVecMeso::property_atom(char *name)
+{
+  if (strcmp(name,"rho") == 0) return 0;
+  if (strcmp(name,"drho") == 0) return 1;
+  if (strcmp(name,"e") == 0) return 2;
+  if (strcmp(name,"de") == 0) return 3;
+  if (strcmp(name,"cv") == 0) return 4;
+  return -1;
+}
+
+/* ----------------------------------------------------------------------
+   pack per-atom data into buf for ComputePropertyAtom
+   index maps to data specific to this atom style
+------------------------------------------------------------------------- */
+
+void AtomVecMeso::pack_property_atom(int index, double *buf, 
+                                     int nvalues, int groupbit)
+{
+  int *mask = atom->mask;
+  int nlocal = atom->nlocal;
+  int n = 0;
+
+  if (index == 0) {
+    for (int i = 0; i < nlocal; i++) {
+      if (mask[i] & groupbit) buf[n] = rho[i];
+      else buf[n] = 0.0;
+      n += nvalues;
+    }
+  } else if (index == 1) {
+    for (int i = 0; i < nlocal; i++) {
+      if (mask[i] & groupbit) buf[n] = drho[i];
+      else buf[n] = 0.0;
+      n += nvalues;
+    }
+  } else if (index == 2) {
+    for (int i = 0; i < nlocal; i++) {
+      if (mask[i] & groupbit) buf[n] = e[i];
+      else buf[n] = 0.0;
+      n += nvalues;
+    }
+  } else if (index == 3) {
+    for (int i = 0; i < nlocal; i++) {
+      if (mask[i] & groupbit) buf[n] = de[i];
+      else buf[n] = 0.0;
+      n += nvalues;
+    }
+  } else if (index == 4) {
+    for (int i = 0; i < nlocal; i++) {
+      if (mask[i] & groupbit) buf[n] = cv[i];
+      else buf[n] = 0.0;
+      n += nvalues;
+    }
+  }
+}
+
 /* ----------------------------------------------------------------------
    return # of bytes of allocated memory
    ------------------------------------------------------------------------- */
diff --git a/src/USER-SPH/atom_vec_meso.h b/src/USER-SPH/atom_vec_meso.h
index 6f50b44c22..23c1c927fc 100644
--- a/src/USER-SPH/atom_vec_meso.h
+++ b/src/USER-SPH/atom_vec_meso.h
@@ -60,6 +60,8 @@ class AtomVecMeso : public AtomVec {
   int pack_data_hybrid(int, double *);
   void write_data(FILE *, int, double **);
   int write_data_hybrid(FILE *, double *);
+  int property_atom(char *);
+  void pack_property_atom(int, double *, int, int);
   bigint memory_usage();
 
  private:

From 52f7ca6f6adfbd7e8536ae1c1c6bc9c8611dfb34 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 4 Jun 2014 23:04:09 +0000
Subject: [PATCH 15/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12078
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 doc/compute_property_atom.html |  6 +++---
 doc/compute_property_atom.txt  |  6 +++---
 doc/dump.html                  | 14 +-------------
 doc/dump.txt                   | 14 +-------------
 4 files changed, 8 insertions(+), 32 deletions(-)

diff --git a/doc/compute_property_atom.html b/doc/compute_property_atom.html
index e00f03d8a8..62a7e04da9 100644
--- a/doc/compute_property_atom.html
+++ b/doc/compute_property_atom.html
@@ -34,9 +34,9 @@
 			corner2x, corner2y, corner2z,
 			corner3x, corner3y, corner3z,
 			nbonds,
-			spin, eradius, ervel, erforce, ervelforce,
-                        cs, csforce, vforce, etag,
-                        rho, drho, e, de, cv, vestx, vesty, vestz,
+                        vfrac, s0,
+			spin, eradius, ervel, erforce,
+                        rho, drho, e, de, cv,
                         i_name, d_name 
 </PRE>
 <PRE>      id = atom ID
diff --git a/doc/compute_property_atom.txt b/doc/compute_property_atom.txt
index 21e18c3e81..b6c1cc2f03 100644
--- a/doc/compute_property_atom.txt
+++ b/doc/compute_property_atom.txt
@@ -28,9 +28,9 @@ input = one or more atom attributes :l
 			corner2x, corner2y, corner2z,
 			corner3x, corner3y, corner3z,
 			nbonds,
-			spin, eradius, ervel, erforce, ervelforce,
-                        cs, csforce, vforce, etag,
-                        rho, drho, e, de, cv, vestx, vesty, vestz,
+                        vfrac, s0,
+			spin, eradius, ervel, erforce,
+                        rho, drho, e, de, cv,
                         i_name, d_name :pre
       id = atom ID
       mol = molecule ID
diff --git a/doc/dump.html b/doc/dump.html
index 8b63b05e2a..5527540cc4 100644
--- a/doc/dump.html
+++ b/doc/dump.html
@@ -64,7 +64,6 @@
                           q, mux, muy, muz, mu,
                           radius, diameter, omegax, omegay, omegaz,
 			  angmomx, angmomy, angmomz, tqx, tqy, tqz,
-			  spin, eradius, ervel, erforce,
 			  c_ID, c_ID[N], f_ID, f_ID[N], v_name 
 </PRE>
 <PRE>      id = atom ID
@@ -86,10 +85,6 @@
       omegax,omegay,omegaz = angular velocity of spherical particle
       angmomx,angmomy,angmomz = angular momentum of aspherical particle
       tqx,tqy,tqz = torque on finite-size particles
-      spin = electron spin
-      eradius = electron radius
-      ervel = electron radial velocity
-      erforce = electron radial force
       c_ID = per-atom vector calculated by a compute with ID
       c_ID[N] = Nth column of per-atom array calculated by a compute with ID
       f_ID = per-atom vector calculated by a fix with ID
@@ -108,8 +103,7 @@ dump 4a all custom 100 dump.myforce.* id type x y vx fx
 dump 4b flow custom 100 dump.%.myforce id type c_myF[3] v_ke
 dump 2 inner cfg 10 dump.snap.*.cfg mass type xs ys zs vx vy vz
 dump snap all cfg 100 dump.config.*.cfg mass type xs ys zs id type c_Stress[2]
-dump 1 all xtc 1000 file.xtc
-dump e_data all custom 100 dump.eff id type x y z spin eradius fx fy fz eforce 
+dump 1 all xtc 1000 file.xtc 
 </PRE>
 <P><B>Description:</B>
 </P>
@@ -523,12 +517,6 @@ the <I>ellipsoid</I> atom style defines this quantity.
 can sustain a rotational torque due to interactions with other
 particles.
 </P>
-<P>The <I>spin</I>, <I>eradius</I>, <I>ervel</I>, and <I>erforce</I> attributes are for
-particles that represent nuclei and electrons modeled with the
-electronic force field (EFF).  See <A HREF = "atom_style.html">atom_style
-electron</A> and <A HREF = "pair_eff.html">pair_style eff</A> for more
-details.
-</P>
 <P>The <I>c_ID</I> and <I>c_ID[N]</I> attributes allow per-atom vectors or arrays
 calculated by a <A HREF = "compute.html">compute</A> to be output.  The ID in the
 attribute should be replaced by the actual ID of the compute that has
diff --git a/doc/dump.txt b/doc/dump.txt
index a0c8141092..738bbc7bf0 100644
--- a/doc/dump.txt
+++ b/doc/dump.txt
@@ -51,7 +51,6 @@ args = list of arguments for a particular style :l
                           q, mux, muy, muz, mu,
                           radius, diameter, omegax, omegay, omegaz,
 			  angmomx, angmomy, angmomz, tqx, tqy, tqz,
-			  spin, eradius, ervel, erforce,
 			  c_ID, c_ID\[N\], f_ID, f_ID\[N\], v_name :pre
 
       id = atom ID
@@ -73,10 +72,6 @@ args = list of arguments for a particular style :l
       omegax,omegay,omegaz = angular velocity of spherical particle
       angmomx,angmomy,angmomz = angular momentum of aspherical particle
       tqx,tqy,tqz = torque on finite-size particles
-      spin = electron spin
-      eradius = electron radius
-      ervel = electron radial velocity
-      erforce = electron radial force
       c_ID = per-atom vector calculated by a compute with ID
       c_ID\[N\] = Nth column of per-atom array calculated by a compute with ID
       f_ID = per-atom vector calculated by a fix with ID
@@ -94,8 +89,7 @@ dump 4a all custom 100 dump.myforce.* id type x y vx fx
 dump 4b flow custom 100 dump.%.myforce id type c_myF\[3\] v_ke
 dump 2 inner cfg 10 dump.snap.*.cfg mass type xs ys zs vx vy vz
 dump snap all cfg 100 dump.config.*.cfg mass type xs ys zs id type c_Stress\[2\]
-dump 1 all xtc 1000 file.xtc
-dump e_data all custom 100 dump.eff id type x y z spin eradius fx fy fz eforce :pre
+dump 1 all xtc 1000 file.xtc :pre
 
 [Description:]
 
@@ -509,12 +503,6 @@ The {tqx}, {tqy}, {tqz} attributes are for finite-size particles that
 can sustain a rotational torque due to interactions with other
 particles.
 
-The {spin}, {eradius}, {ervel}, and {erforce} attributes are for
-particles that represent nuclei and electrons modeled with the
-electronic force field (EFF).  See "atom_style
-electron"_atom_style.html and "pair_style eff"_pair_eff.html for more
-details.
-
 The {c_ID} and {c_ID\[N\]} attributes allow per-atom vectors or arrays
 calculated by a "compute"_compute.html to be output.  The ID in the
 attribute should be replaced by the actual ID of the compute that has

From 135f239f624c4a0c5744a9ef31879ca2cb51d8fc Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 4 Jun 2014 23:04:18 +0000
Subject: [PATCH 16/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12079
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/version.h | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/version.h b/src/version.h
index 218ca98a1d..3074249477 100644
--- a/src/version.h
+++ b/src/version.h
@@ -1 +1 @@
-#define LAMMPS_VERSION "29 May 2014"
+#define LAMMPS_VERSION "4 Jun 2014"

From b2fa4e6c90f0a579093e621f5b4fd92c17415d20 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 4 Jun 2014 23:04:18 +0000
Subject: [PATCH 17/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12080
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 doc/Manual.html | 4 ++--
 doc/Manual.txt  | 4 ++--
 2 files changed, 4 insertions(+), 4 deletions(-)

diff --git a/doc/Manual.html b/doc/Manual.html
index b6ba2a8b71..54da582f8d 100644
--- a/doc/Manual.html
+++ b/doc/Manual.html
@@ -1,7 +1,7 @@
 <HTML>
 <HEAD>
 <TITLE>LAMMPS Users Manual</TITLE>
-<META NAME="docnumber" CONTENT="29 May 2014 version">
+<META NAME="docnumber" CONTENT="4 Jun 2014 version">
 <META NAME="author" CONTENT="http://lammps.sandia.gov - Sandia National Laboratories">
 <META NAME="copyright" CONTENT="Copyright (2003) Sandia Corporation.  This software and manual is distributed under the GNU General Public License.">
 </HEAD>
@@ -22,7 +22,7 @@
 
 <CENTER><H3>LAMMPS Documentation 
 </H3></CENTER>
-<CENTER><H4>29 May 2014 version 
+<CENTER><H4>4 Jun 2014 version 
 </H4></CENTER>
 <H4>Version info: 
 </H4>
diff --git a/doc/Manual.txt b/doc/Manual.txt
index 1568d7dfee..b6dacc6f36 100644
--- a/doc/Manual.txt
+++ b/doc/Manual.txt
@@ -1,6 +1,6 @@
 <HEAD>
 <TITLE>LAMMPS Users Manual</TITLE>
-<META NAME="docnumber" CONTENT="29 May 2014 version">
+<META NAME="docnumber" CONTENT="4 Jun 2014 version">
 <META NAME="author" CONTENT="http://lammps.sandia.gov - Sandia National Laboratories">
 <META NAME="copyright" CONTENT="Copyright (2003) Sandia Corporation.  This software and manual is distributed under the GNU General Public License.">
 </HEAD>
@@ -18,7 +18,7 @@
 <H1></H1>
 
 LAMMPS Documentation :c,h3
-29 May 2014 version :c,h4
+4 Jun 2014 version :c,h4
 
 Version info: :h4
 

From 331cec9038fcaa013e7667cfed3822431d03709e Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Thu, 5 Jun 2014 12:48:07 +0000
Subject: [PATCH 18/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12086
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/pair_dpd.h | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/pair_dpd.h b/src/pair_dpd.h
index a177f76e38..05199d0953 100644
--- a/src/pair_dpd.h
+++ b/src/pair_dpd.h
@@ -71,7 +71,7 @@ Self-explanatory.  Check the input script or data file.
 
 E: Pair dpd requires ghost atoms store velocity
 
-Use the communicate vel yes command to enable this.
+Use the comm_modify vel yes command to enable this.
 
 W: Pair dpd needs newton pair on for momentum conservation
 

From 55a2e9924f1b6c5227400fc9f35a8f67cb2b3ff9 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Thu, 5 Jun 2014 12:48:17 +0000
Subject: [PATCH 19/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12087
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/FLD/pair_lubricate.h               | 2 +-
 src/FLD/pair_lubricateU.h              | 2 +-
 src/FLD/pair_lubricateU_poly.h         | 2 +-
 src/FLD/pair_lubricate_poly.h          | 2 +-
 src/GRANULAR/pair_gran_hooke_history.h | 2 +-
 src/SRD/fix_srd.h                      | 2 +-
 6 files changed, 6 insertions(+), 6 deletions(-)

diff --git a/src/FLD/pair_lubricate.h b/src/FLD/pair_lubricate.h
index e93aa55a27..8df09c5934 100644
--- a/src/FLD/pair_lubricate.h
+++ b/src/FLD/pair_lubricate.h
@@ -86,7 +86,7 @@ Self-explanatory.
 
 E: Pair lubricate requires ghost atoms store velocity
 
-Use the communicate vel yes command to enable this.
+Use the comm_modify vel yes command to enable this.
 
 E: Pair lubricate requires monodisperse particles
 
diff --git a/src/FLD/pair_lubricateU.h b/src/FLD/pair_lubricateU.h
index 1af1ec281d..009f5ac54b 100644
--- a/src/FLD/pair_lubricateU.h
+++ b/src/FLD/pair_lubricateU.h
@@ -101,7 +101,7 @@ Self-explanatory.
 
 E: Pair lubricateU requires ghost atoms store velocity
 
-Use the communicate vel yes command to enable this.
+Use the comm_modify vel yes command to enable this.
 
 E: Pair lubricateU requires monodisperse particles
 
diff --git a/src/FLD/pair_lubricateU_poly.h b/src/FLD/pair_lubricateU_poly.h
index d7562993a3..06c88a3402 100644
--- a/src/FLD/pair_lubricateU_poly.h
+++ b/src/FLD/pair_lubricateU_poly.h
@@ -66,7 +66,7 @@ Self-explanatory.
 
 E: Pair lubricateU/poly requires ghost atoms store velocity
 
-Use the communicate vel yes command to enable this.
+Use the comm_modify vel yes command to enable this.
 
 E: Pair lubricate/poly requires atom style sphere
 
diff --git a/src/FLD/pair_lubricate_poly.h b/src/FLD/pair_lubricate_poly.h
index 274852823c..6c1dacd81f 100644
--- a/src/FLD/pair_lubricate_poly.h
+++ b/src/FLD/pair_lubricate_poly.h
@@ -45,7 +45,7 @@ Self-explanatory.
 
 E: Pair lubricate/poly requires ghost atoms store velocity
 
-Use the communicate vel yes command to enable this.
+Use the comm_modify vel yes command to enable this.
 
 E: Pair lubricate/poly requires atom style sphere
 
diff --git a/src/GRANULAR/pair_gran_hooke_history.h b/src/GRANULAR/pair_gran_hooke_history.h
index ce69e382c6..7a98b19dc6 100644
--- a/src/GRANULAR/pair_gran_hooke_history.h
+++ b/src/GRANULAR/pair_gran_hooke_history.h
@@ -93,7 +93,7 @@ Self-explanatory.
 
 E: Pair granular requires ghost atoms store velocity
 
-Use the communicate vel yes command to enable this.
+Use the comm_modify vel yes command to enable this.
 
 E: Pair granular with shear history requires newton pair off
 
diff --git a/src/SRD/fix_srd.h b/src/SRD/fix_srd.h
index a598c89149..6e3198d36f 100644
--- a/src/SRD/fix_srd.h
+++ b/src/SRD/fix_srd.h
@@ -276,7 +276,7 @@ Self-explanatory.
 
 E: Fix srd requires ghost atoms store velocity
 
-Use the communicate vel yes command to enable this.
+Use the comm_modify vel yes command to enable this.
 
 E: Fix SRD no-slip requires atom attribute torque
 

From 3f16021ba13b198b676dff2b5cb0d295ab02fa46 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Thu, 5 Jun 2014 12:50:23 +0000
Subject: [PATCH 20/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12088
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 doc/Section_errors.html | 14 +++++++-------
 doc/Section_errors.txt  | 14 +++++++-------
 doc/pair_dpd.html       |  4 ++--
 doc/pair_dpd.txt        |  4 ++--
 doc/pair_eff.html       |  4 ++--
 doc/pair_eff.txt        |  4 ++--
 doc/pair_gran.html      |  4 ++--
 doc/pair_gran.txt       |  4 ++--
 8 files changed, 26 insertions(+), 26 deletions(-)

diff --git a/doc/Section_errors.html b/doc/Section_errors.html
index 6fbad82234..d30dfd35d2 100644
--- a/doc/Section_errors.html
+++ b/doc/Section_errors.html
@@ -4388,7 +4388,7 @@ it turns off bonds that should contribute to the energy.
 
 <DT><I>Fix srd requires ghost atoms store velocity</I> 
 
-<DD>Use the communicate vel yes command to enable this. 
+<DD>Use the comm_modify vel yes command to enable this. 
 
 <DT><I>Fix srd requires newton pair on</I> 
 
@@ -6849,7 +6849,7 @@ rRESPA cutoffs.
 
 <DT><I>Pair dpd requires ghost atoms store velocity</I> 
 
-<DD>Use the communicate vel yes command to enable this. 
+<DD>Use the comm_modify vel yes command to enable this. 
 
 <DT><I>Pair gayberne epsilon a,b,c coeffs are not all set</I> 
 
@@ -6878,7 +6878,7 @@ have these 3 coefficients set at least once.
 
 <DT><I>Pair granular requires ghost atoms store velocity</I> 
 
-<DD>Use the communicate vel yes command to enable this. 
+<DD>Use the comm_modify vel yes command to enable this. 
 
 <DT><I>Pair granular with shear history requires newton pair off</I> 
 
@@ -6918,7 +6918,7 @@ rRESPA cutoffs.
 
 <DT><I>Pair lubricate requires ghost atoms store velocity</I> 
 
-<DD>Use the communicate vel yes command to enable this. 
+<DD>Use the comm_modify vel yes command to enable this. 
 
 <DT><I>Pair lubricate requires monodisperse particles</I> 
 
@@ -6934,7 +6934,7 @@ rRESPA cutoffs.
 
 <DT><I>Pair lubricate/poly requires ghost atoms store velocity</I> 
 
-<DD>Use the communicate vel yes command to enable this. 
+<DD>Use the comm_modify vel yes command to enable this. 
 
 <DT><I>Pair lubricate/poly requires newton pair off</I> 
 
@@ -6946,7 +6946,7 @@ rRESPA cutoffs.
 
 <DT><I>Pair lubricateU requires ghost atoms store velocity</I> 
 
-<DD>Use the communicate vel yes command to enable this. 
+<DD>Use the comm_modify vel yes command to enable this. 
 
 <DT><I>Pair lubricateU requires monodisperse particles</I> 
 
@@ -6954,7 +6954,7 @@ rRESPA cutoffs.
 
 <DT><I>Pair lubricateU/poly requires ghost atoms store velocity</I> 
 
-<DD>Use the communicate vel yes command to enable this. 
+<DD>Use the comm_modify vel yes command to enable this. 
 
 <DT><I>Pair lubricateU/poly requires newton pair off</I> 
 
diff --git a/doc/Section_errors.txt b/doc/Section_errors.txt
index 1b6c7adb1a..91878bc777 100644
--- a/doc/Section_errors.txt
+++ b/doc/Section_errors.txt
@@ -4384,7 +4384,7 @@ Self-explanatory. :dd
 
 {Fix srd requires ghost atoms store velocity} :dt
 
-Use the communicate vel yes command to enable this. :dd
+Use the comm_modify vel yes command to enable this. :dd
 
 {Fix srd requires newton pair on} :dt
 
@@ -6845,7 +6845,7 @@ Two atoms are further apart than the pairwise table allows. :dd
 
 {Pair dpd requires ghost atoms store velocity} :dt
 
-Use the communicate vel yes command to enable this. :dd
+Use the comm_modify vel yes command to enable this. :dd
 
 {Pair gayberne epsilon a,b,c coeffs are not all set} :dt
 
@@ -6874,7 +6874,7 @@ Self-explanatory. :dd
 
 {Pair granular requires ghost atoms store velocity} :dt
 
-Use the communicate vel yes command to enable this. :dd
+Use the comm_modify vel yes command to enable this. :dd
 
 {Pair granular with shear history requires newton pair off} :dt
 
@@ -6914,7 +6914,7 @@ Self-explanatory. :dd
 
 {Pair lubricate requires ghost atoms store velocity} :dt
 
-Use the communicate vel yes command to enable this. :dd
+Use the comm_modify vel yes command to enable this. :dd
 
 {Pair lubricate requires monodisperse particles} :dt
 
@@ -6930,7 +6930,7 @@ One of the particles has radius 0.0. :dd
 
 {Pair lubricate/poly requires ghost atoms store velocity} :dt
 
-Use the communicate vel yes command to enable this. :dd
+Use the comm_modify vel yes command to enable this. :dd
 
 {Pair lubricate/poly requires newton pair off} :dt
 
@@ -6942,7 +6942,7 @@ Self-explanatory. :dd
 
 {Pair lubricateU requires ghost atoms store velocity} :dt
 
-Use the communicate vel yes command to enable this. :dd
+Use the comm_modify vel yes command to enable this. :dd
 
 {Pair lubricateU requires monodisperse particles} :dt
 
@@ -6950,7 +6950,7 @@ All particles must be the same finite size. :dd
 
 {Pair lubricateU/poly requires ghost atoms store velocity} :dt
 
-Use the communicate vel yes command to enable this. :dd
+Use the comm_modify vel yes command to enable this. :dd
 
 {Pair lubricateU/poly requires newton pair off} :dt
 
diff --git a/doc/pair_dpd.html b/doc/pair_dpd.html
index 096ef612b8..6a75343b6f 100644
--- a/doc/pair_dpd.html
+++ b/doc/pair_dpd.html
@@ -175,8 +175,8 @@ number of "dangerous" reneighborings (printed at the end of a
 simulation), you should experiment with forcing reneighboring more
 often and see if system energies/trajectories change.
 </P>
-<P>These pair styles requires you to use the <A HREF = "communicate.html">communicate vel
-yes</A> option so that velocites are stored by ghost
+<P>These pair styles requires you to use the <A HREF = "comm_modify.html">comm_modify vel
+yes</A> command so that velocites are stored by ghost
 atoms.
 </P>
 <P>These pair styles will not restart exactly when using the
diff --git a/doc/pair_dpd.txt b/doc/pair_dpd.txt
index 0f75172dfd..e1d837fa0c 100644
--- a/doc/pair_dpd.txt
+++ b/doc/pair_dpd.txt
@@ -167,8 +167,8 @@ number of "dangerous" reneighborings (printed at the end of a
 simulation), you should experiment with forcing reneighboring more
 often and see if system energies/trajectories change.
 
-These pair styles requires you to use the "communicate vel
-yes"_communicate.html option so that velocites are stored by ghost
+These pair styles requires you to use the "comm_modify vel
+yes"_comm_modify.html command so that velocites are stored by ghost
 atoms.
 
 These pair styles will not restart exactly when using the
diff --git a/doc/pair_eff.html b/doc/pair_eff.html
index c183a434ca..1e3b5391c5 100644
--- a/doc/pair_eff.html
+++ b/doc/pair_eff.html
@@ -296,8 +296,8 @@ such as radius, radial velocity, and radital force, as defined by the
 <A HREF = "atom_style.html">atom_style</A>.  The <I>electron</I> atom style does all of
 this.
 </P>
-<P>Thes pair styles require you to use the <A HREF = "communicate.html">communicate vel
-yes</A> option so that velocites are stored by ghost
+<P>Thes pair styles require you to use the <A HREF = "comm_modify.html">comm_modify vel
+yes</A> command so that velocites are stored by ghost
 atoms.
 </P>
 <P><B>Related commands:</B>
diff --git a/doc/pair_eff.txt b/doc/pair_eff.txt
index 80adfba5d1..49b0ef8be5 100644
--- a/doc/pair_eff.txt
+++ b/doc/pair_eff.txt
@@ -289,8 +289,8 @@ such as radius, radial velocity, and radital force, as defined by the
 "atom_style"_atom_style.html.  The {electron} atom style does all of
 this.
 
-Thes pair styles require you to use the "communicate vel
-yes"_communicate.html option so that velocites are stored by ghost
+Thes pair styles require you to use the "comm_modify vel
+yes"_comm_modify.html command so that velocites are stored by ghost
 atoms.
 
 [Related commands:]
diff --git a/doc/pair_gran.html b/doc/pair_gran.html
index 37e7cc70e7..6a26c0bb7d 100644
--- a/doc/pair_gran.html
+++ b/doc/pair_gran.html
@@ -243,8 +243,8 @@ LAMMPS</A> section for more info.
 require a per-particle radius is stored.  The <I>sphere</I> atom style does
 all of this.
 </P>
-<P>This pair style requires you to use the <A HREF = "communicate.html">communicate vel
-yes</A> option so that velocites are stored by ghost
+<P>This pair style requires you to use the <A HREF = "comm_modify.html">comm_modify vel
+yes</A> command so that velocites are stored by ghost
 atoms.
 </P>
 <P>These pair styles will not restart exactly when using the
diff --git a/doc/pair_gran.txt b/doc/pair_gran.txt
index 1333363e82..da955f14a1 100644
--- a/doc/pair_gran.txt
+++ b/doc/pair_gran.txt
@@ -229,8 +229,8 @@ These pair styles require that atoms store torque and angular velocity
 require a per-particle radius is stored.  The {sphere} atom style does
 all of this.
 
-This pair style requires you to use the "communicate vel
-yes"_communicate.html option so that velocites are stored by ghost
+This pair style requires you to use the "comm_modify vel
+yes"_comm_modify.html command so that velocites are stored by ghost
 atoms.
 
 These pair styles will not restart exactly when using the

From 8dad71810cf4ef792b2ce4277fbb26b5422f19ae Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Thu, 5 Jun 2014 12:52:13 +0000
Subject: [PATCH 21/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12089
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 examples/USER/eff/Auger-Adamantane/in.adamantane_ionized.nve | 2 +-
 examples/USER/eff/Be-solid/in.Be-solid.spe                   | 2 +-
 examples/USER/eff/CH4/in.ch4.dynamics                        | 2 +-
 examples/USER/eff/CH4/in.ch4.min                             | 2 +-
 examples/USER/eff/CH4/in.ch4_ionized.dynamics                | 2 +-
 examples/USER/eff/H/in.h_atom.spe.ang                        | 2 +-
 examples/USER/eff/H/in.h_atom.spe.bohr                       | 2 +-
 examples/USER/eff/H2/in.h2                                   | 2 +-
 examples/USER/eff/H_plasma/in.h2bulk.npt                     | 2 +-
 examples/USER/eff/H_plasma/in.h2bulk.nve                     | 2 +-
 examples/USER/eff/H_plasma/in.h2bulk.nve.ang                 | 2 +-
 examples/USER/eff/Li-dendritic/in.Li-dendritic.min           | 2 +-
 examples/USER/eff/Li-dendritic/in.Li-dendritic.nvt           | 2 +-
 examples/USER/eff/Li-solid/in.Li.ang                         | 2 +-
 examples/USER/eff/Li-solid/in.Li.bohr                        | 2 +-
 15 files changed, 15 insertions(+), 15 deletions(-)

diff --git a/examples/USER/eff/Auger-Adamantane/in.adamantane_ionized.nve b/examples/USER/eff/Auger-Adamantane/in.adamantane_ionized.nve
index f6ea882b2b..a465ed122f 100644
--- a/examples/USER/eff/Auger-Adamantane/in.adamantane_ionized.nve
+++ b/examples/USER/eff/Auger-Adamantane/in.adamantane_ionized.nve
@@ -12,7 +12,7 @@ read_data  	data.${sname}
 pair_style      eff/cut 100.0
 pair_coeff 	* *
 
-communicate	single vel yes
+comm_modify	vel yes
 
 compute		effTemp all temp/eff
 
diff --git a/examples/USER/eff/Be-solid/in.Be-solid.spe b/examples/USER/eff/Be-solid/in.Be-solid.spe
index f62af6816d..967f450982 100644
--- a/examples/USER/eff/Be-solid/in.Be-solid.spe
+++ b/examples/USER/eff/Be-solid/in.Be-solid.spe
@@ -12,7 +12,7 @@ read_data       data.${sname}
 pair_style      eff/cut 31.6125
 pair_coeff      * *
 
-communicate	single vel yes
+comm_modify	vel yes
 
 neigh_modify	one 10000 page 100000
 
diff --git a/examples/USER/eff/CH4/in.ch4.dynamics b/examples/USER/eff/CH4/in.ch4.dynamics
index 4d4adf94f3..2a85262796 100644
--- a/examples/USER/eff/CH4/in.ch4.dynamics
+++ b/examples/USER/eff/CH4/in.ch4.dynamics
@@ -12,7 +12,7 @@ read_data  	data.${sname}
 pair_style      eff/cut 100.0
 pair_coeff	* *
 
-communicate	single vel yes	
+comm_modify	vel yes	
 
 # Minimize
 min_style       cg
diff --git a/examples/USER/eff/CH4/in.ch4.min b/examples/USER/eff/CH4/in.ch4.min
index 9c7fbd96f2..17df27892c 100644
--- a/examples/USER/eff/CH4/in.ch4.min
+++ b/examples/USER/eff/CH4/in.ch4.min
@@ -12,7 +12,7 @@ read_data  	data.${sname}
 pair_style      eff/cut 100.0
 pair_coeff	* *
 
-communicate	single vel yes	
+comm_modify	vel yes	
 
 compute         effTemp all temp/eff
 
diff --git a/examples/USER/eff/CH4/in.ch4_ionized.dynamics b/examples/USER/eff/CH4/in.ch4_ionized.dynamics
index 647979aa26..762dcd2d0a 100644
--- a/examples/USER/eff/CH4/in.ch4_ionized.dynamics
+++ b/examples/USER/eff/CH4/in.ch4_ionized.dynamics
@@ -12,7 +12,7 @@ read_data  	data.${sname}
 pair_style      eff/cut 5000.0 0 0
 pair_coeff	* *
 
-communicate	single vel yes	
+comm_modify	vel yes	
 
 # minimize
 min_style       cg
diff --git a/examples/USER/eff/H/in.h_atom.spe.ang b/examples/USER/eff/H/in.h_atom.spe.ang
index e63b8a990d..3d4897461e 100644
--- a/examples/USER/eff/H/in.h_atom.spe.ang
+++ b/examples/USER/eff/H/in.h_atom.spe.ang
@@ -12,7 +12,7 @@ read_data  	data.${sname}
 pair_style      eff/cut 0.529177249
 pair_coeff 	* *
 
-communicate	single vel yes
+comm_modify	vel yes
 
 compute         energies all pair eff/cut
 variable        eke equal c_energies[1]
diff --git a/examples/USER/eff/H/in.h_atom.spe.bohr b/examples/USER/eff/H/in.h_atom.spe.bohr
index d0c801ff68..2f18ee4e43 100644
--- a/examples/USER/eff/H/in.h_atom.spe.bohr
+++ b/examples/USER/eff/H/in.h_atom.spe.bohr
@@ -12,7 +12,7 @@ read_data  	data.${sname}
 pair_style      eff/cut 1.0 
 pair_coeff 	* *
 
-communicate	single vel yes
+comm_modify	vel yes
 
 compute         energies all pair eff/cut
 variable        eke equal c_energies[1]
diff --git a/examples/USER/eff/H2/in.h2 b/examples/USER/eff/H2/in.h2
index 87a0b2d3ee..0c42a9c83e 100644
--- a/examples/USER/eff/H2/in.h2
+++ b/examples/USER/eff/H2/in.h2
@@ -12,7 +12,7 @@ read_data  	data.${sname}
 pair_style      eff/cut 6.447968 pressure/evirials
 pair_coeff 	* *
 
-communicate	single vel yes
+comm_modify	vel yes
 
 min_style	cg
 min_modify	line quadratic
diff --git a/examples/USER/eff/H_plasma/in.h2bulk.npt b/examples/USER/eff/H_plasma/in.h2bulk.npt
index 30f5ca0910..4e925c2473 100644
--- a/examples/USER/eff/H_plasma/in.h2bulk.npt
+++ b/examples/USER/eff/H_plasma/in.h2bulk.npt
@@ -14,7 +14,7 @@ pair_coeff	* *
 
 neigh_modify	one 20000 page 200000
 
-communicate	single vel yes
+comm_modify	vel yes
 
 compute		effTemp all temp/eff
 
diff --git a/examples/USER/eff/H_plasma/in.h2bulk.nve b/examples/USER/eff/H_plasma/in.h2bulk.nve
index 74ce5afbc5..94c2e6ce1d 100644
--- a/examples/USER/eff/H_plasma/in.h2bulk.nve
+++ b/examples/USER/eff/H_plasma/in.h2bulk.nve
@@ -14,7 +14,7 @@ pair_coeff	* *
 
 neigh_modify    one 10000 page 100000
 
-communicate	single vel yes
+comm_modify	vel yes
 
 compute		effTemp all temp/eff
 
diff --git a/examples/USER/eff/H_plasma/in.h2bulk.nve.ang b/examples/USER/eff/H_plasma/in.h2bulk.nve.ang
index 8fe1e95eda..d4b952b7a0 100644
--- a/examples/USER/eff/H_plasma/in.h2bulk.nve.ang
+++ b/examples/USER/eff/H_plasma/in.h2bulk.nve.ang
@@ -14,7 +14,7 @@ pair_coeff	* *
 
 neigh_modify    one 10000 page 100000
 
-communicate	single vel yes
+comm_modify	vel yes
 
 compute         peratom all stress/atom NULL
 compute         p all reduce sum c_peratom[1] c_peratom[2] c_peratom[3]
diff --git a/examples/USER/eff/Li-dendritic/in.Li-dendritic.min b/examples/USER/eff/Li-dendritic/in.Li-dendritic.min
index 9162183208..5411da21a6 100644
--- a/examples/USER/eff/Li-dendritic/in.Li-dendritic.min
+++ b/examples/USER/eff/Li-dendritic/in.Li-dendritic.min
@@ -13,7 +13,7 @@ read_restart	${sname}.min.restart2
 pair_style      eff/cut 50.112 
 pair_coeff	* * 
 
-communicate	single vel yes
+comm_modify	vel yes
 
 compute		effTemp all temp/eff
 
diff --git a/examples/USER/eff/Li-dendritic/in.Li-dendritic.nvt b/examples/USER/eff/Li-dendritic/in.Li-dendritic.nvt
index 815678f65e..eee8eafe6a 100644
--- a/examples/USER/eff/Li-dendritic/in.Li-dendritic.nvt
+++ b/examples/USER/eff/Li-dendritic/in.Li-dendritic.nvt
@@ -13,7 +13,7 @@ read_data  	data.${sname}
 pair_style      eff/cut 50.112
 pair_coeff	* * 
 
-communicate	single vel yes
+comm_modify	vel yes
 
 compute         effTemp all temp/eff
 compute         effPress all pressure effTemp
diff --git a/examples/USER/eff/Li-solid/in.Li.ang b/examples/USER/eff/Li-solid/in.Li.ang
index 006786b5f5..44a932000a 100644
--- a/examples/USER/eff/Li-solid/in.Li.ang
+++ b/examples/USER/eff/Li-solid/in.Li.ang
@@ -14,7 +14,7 @@ read_data       data.${sname}
 pair_style      eff/cut 11.049221 limit/eradius pressure/evirials
 pair_coeff      * *
 
-communicate	single vel yes
+comm_modify	vel yes
 
 neigh_modify	one 2000 page 20000
 
diff --git a/examples/USER/eff/Li-solid/in.Li.bohr b/examples/USER/eff/Li-solid/in.Li.bohr
index 6a97deaaba..a02d524d01 100644
--- a/examples/USER/eff/Li-solid/in.Li.bohr
+++ b/examples/USER/eff/Li-solid/in.Li.bohr
@@ -13,7 +13,7 @@ read_data       data.${sname}
 pair_style      eff/cut 20.88 limit/eradius pressure/evirials
 pair_coeff      * *
 
-communicate	single vel yes
+comm_modify	vel yes
 
 neigh_modify	one 2000 page 20000
 

From 0078b0956b6fb7882fa4e1227fa6e0d70ad02604 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Thu, 5 Jun 2014 12:52:27 +0000
Subject: [PATCH 22/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12090
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 examples/ASPHERE/box/in.box                | 2 +-
 examples/ASPHERE/box/in.box.mp             | 2 +-
 examples/ASPHERE/dimer/in.dimer            | 2 +-
 examples/ASPHERE/dimer/in.dimer.mp         | 2 +-
 examples/ASPHERE/ellipsoid/in.ellipsoid    | 2 +-
 examples/ASPHERE/ellipsoid/in.ellipsoid.mp | 2 +-
 examples/ASPHERE/line/in.line.srd          | 2 +-
 examples/ASPHERE/poly/in.poly              | 2 +-
 examples/ASPHERE/poly/in.poly.mp           | 2 +-
 examples/ASPHERE/star/in.star              | 2 +-
 examples/ASPHERE/star/in.star.mp           | 2 +-
 examples/ASPHERE/tri/in.tri.srd            | 2 +-
 12 files changed, 12 insertions(+), 12 deletions(-)

diff --git a/examples/ASPHERE/box/in.box b/examples/ASPHERE/box/in.box
index 55536f92ef..289fc6c6af 100644
--- a/examples/ASPHERE/box/in.box
+++ b/examples/ASPHERE/box/in.box
@@ -67,7 +67,7 @@ reset_timestep	0
 neighbor	0.3 bin
 neigh_modify	delay 0 every 1 check yes
 
-communicate	multi group big vel yes
+comm_modify	mode multi group big vel yes
 neigh_modify	include big
 
 # no pairwise interactions with small particles
diff --git a/examples/ASPHERE/box/in.box.mp b/examples/ASPHERE/box/in.box.mp
index 911700bf8e..2d6a2d2df6 100644
--- a/examples/ASPHERE/box/in.box.mp
+++ b/examples/ASPHERE/box/in.box.mp
@@ -67,7 +67,7 @@ reset_timestep	0
 neighbor	0.3 bin
 neigh_modify	delay 0 every 1 check yes
 
-communicate	multi group big vel yes
+comm_modify	mode multi group big vel yes
 neigh_modify	include big
 
 # no pairwise interactions with small particles
diff --git a/examples/ASPHERE/dimer/in.dimer b/examples/ASPHERE/dimer/in.dimer
index a081b674a0..9e514d83f1 100644
--- a/examples/ASPHERE/dimer/in.dimer
+++ b/examples/ASPHERE/dimer/in.dimer
@@ -64,7 +64,7 @@ reset_timestep	0
 neighbor	0.3 bin
 neigh_modify	delay 0 every 1 check yes
 
-communicate	multi group big vel yes
+comm_modify	mode multi group big vel yes
 neigh_modify	include big
 
 # no pairwise interactions with small particles
diff --git a/examples/ASPHERE/dimer/in.dimer.mp b/examples/ASPHERE/dimer/in.dimer.mp
index 1730e58b42..2970df022b 100644
--- a/examples/ASPHERE/dimer/in.dimer.mp
+++ b/examples/ASPHERE/dimer/in.dimer.mp
@@ -64,7 +64,7 @@ reset_timestep	0
 neighbor	0.3 bin
 neigh_modify	delay 0 every 1 check yes
 
-communicate	multi group big vel yes
+comm_modify	mode multi group big vel yes
 neigh_modify	include big
 
 # no pairwise interactions with small particles
diff --git a/examples/ASPHERE/ellipsoid/in.ellipsoid b/examples/ASPHERE/ellipsoid/in.ellipsoid
index e042b8aff2..241f010771 100644
--- a/examples/ASPHERE/ellipsoid/in.ellipsoid
+++ b/examples/ASPHERE/ellipsoid/in.ellipsoid
@@ -75,7 +75,7 @@ reset_timestep	0
 neighbor	0.3 bin
 neigh_modify	delay 0 every 1 check yes
 
-communicate	multi group big vel yes
+comm_modify	mode multi group big vel yes
 neigh_modify	include big
 
 # no pairwise interactions with small particles
diff --git a/examples/ASPHERE/ellipsoid/in.ellipsoid.mp b/examples/ASPHERE/ellipsoid/in.ellipsoid.mp
index 2976838348..52c30db0a9 100644
--- a/examples/ASPHERE/ellipsoid/in.ellipsoid.mp
+++ b/examples/ASPHERE/ellipsoid/in.ellipsoid.mp
@@ -75,7 +75,7 @@ reset_timestep	0
 neighbor	0.3 bin
 neigh_modify	delay 0 every 1 check yes
 
-communicate	multi group big vel yes
+comm_modify	mode multi group big vel yes
 neigh_modify	include big
 
 # no pairwise interactions with small particles
diff --git a/examples/ASPHERE/line/in.line.srd b/examples/ASPHERE/line/in.line.srd
index 1a1bde4f78..93ea5c3d38 100644
--- a/examples/ASPHERE/line/in.line.srd
+++ b/examples/ASPHERE/line/in.line.srd
@@ -38,7 +38,7 @@ neighbor	0.3 bin
 neigh_modify	delay 0 every 1 check yes
 neigh_modify	exclude molecule big include big
 
-communicate	multi group big vel yes
+comm_modify	mode multi group big vel yes
 neigh_modify	include big
 
 # no pairwise interactions with small particles
diff --git a/examples/ASPHERE/poly/in.poly b/examples/ASPHERE/poly/in.poly
index f8d3b1c13b..77df095e15 100644
--- a/examples/ASPHERE/poly/in.poly
+++ b/examples/ASPHERE/poly/in.poly
@@ -72,7 +72,7 @@ reset_timestep	0
 neighbor	0.3 bin
 neigh_modify	delay 0 every 1 check yes
 
-communicate	multi group big vel yes
+comm_modify	mode multi group big vel yes
 neigh_modify	include big
 
 # no pairwise interactions with small particles
diff --git a/examples/ASPHERE/poly/in.poly.mp b/examples/ASPHERE/poly/in.poly.mp
index 209dc8c086..5ced616e7c 100644
--- a/examples/ASPHERE/poly/in.poly.mp
+++ b/examples/ASPHERE/poly/in.poly.mp
@@ -72,7 +72,7 @@ reset_timestep	0
 neighbor	0.3 bin
 neigh_modify	delay 0 every 1 check yes
 
-communicate	multi group big vel yes
+comm_modify	mode multi group big vel yes
 neigh_modify	include big
 
 # no pairwise interactions with small particles
diff --git a/examples/ASPHERE/star/in.star b/examples/ASPHERE/star/in.star
index 34655f7d9f..eac4caf6a0 100644
--- a/examples/ASPHERE/star/in.star
+++ b/examples/ASPHERE/star/in.star
@@ -67,7 +67,7 @@ reset_timestep	0
 neighbor	0.3 bin
 neigh_modify	delay 0 every 1 check yes
 
-communicate	multi group big vel yes
+comm_modify	mode multi group big vel yes
 neigh_modify	include big
 
 # no pairwise interactions with small particles
diff --git a/examples/ASPHERE/star/in.star.mp b/examples/ASPHERE/star/in.star.mp
index 3fb321c3c6..319dfd1907 100644
--- a/examples/ASPHERE/star/in.star.mp
+++ b/examples/ASPHERE/star/in.star.mp
@@ -67,7 +67,7 @@ reset_timestep	0
 neighbor	0.3 bin
 neigh_modify	delay 0 every 1 check yes
 
-communicate	multi group big vel yes
+comm_modify	mode multi group big vel yes
 neigh_modify	include big
 
 # no pairwise interactions with small particles
diff --git a/examples/ASPHERE/tri/in.tri.srd b/examples/ASPHERE/tri/in.tri.srd
index cd9de03096..caff7f60dd 100644
--- a/examples/ASPHERE/tri/in.tri.srd
+++ b/examples/ASPHERE/tri/in.tri.srd
@@ -37,7 +37,7 @@ neighbor	0.3 bin
 neigh_modify	delay 0 every 1 check yes
 neigh_modify	exclude molecule big include big
 
-communicate	multi group big vel yes
+comm_modify	mode multi group big vel yes
 neigh_modify	include big
 
 # no pairwise interactions with small particles

From 7c995e30f249d08d796c97efdbedd8c5e891e0f9 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Fri, 6 Jun 2014 20:52:25 +0000
Subject: [PATCH 23/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12093
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/variable.cpp | 89 ++++++++++++++++++++++++++++--------------------
 1 file changed, 53 insertions(+), 36 deletions(-)

diff --git a/src/variable.cpp b/src/variable.cpp
index 78048a8c10..fe11239e9f 100644
--- a/src/variable.cpp
+++ b/src/variable.cpp
@@ -139,6 +139,8 @@ void Variable::set(int narg, char **arg)
 {
   if (narg < 2) error->all(FLERR,"Illegal variable command");
 
+  int replaceflag = 0;
+
   // DELETE
   // doesn't matter if variable no longer exists
 
@@ -262,24 +264,28 @@ void Variable::set(int narg, char **arg)
                    "All universe/uloop variables must have same # of values");
 
   // STRING
-  // remove pre-existing var if also style STRING (allows it to be reset)
+  // replace pre-existing var if also style STRING (allows it to be reset)
   // num = 1, which = 1st value
   // data = 1 value, string to eval
 
   } else if (strcmp(arg[1],"string") == 0) {
     if (narg != 3) error->all(FLERR,"Illegal variable command");
-    if (find(arg[0]) >= 0) {
-      if (style[find(arg[0])] != STRING)
+    int ivar = find(arg[0]);
+    if (ivar >= 0) {
+      if (style[ivar] != STRING)
         error->all(FLERR,"Cannot redefine variable as a different style");
-      remove(find(arg[0]));
+      delete [] data[ivar][0];
+      copy(1,&arg[2],data[ivar]);
+      replaceflag = 1;
+    } else {
+      if (nvar == maxvar) grow();
+      style[nvar] = STRING;
+      num[nvar] = 1;
+      which[nvar] = 0;
+      pad[nvar] = 0;
+      data[nvar] = new char*[num[nvar]];
+      copy(1,&arg[2],data[nvar]);
     }
-    if (nvar == maxvar) grow();
-    style[nvar] = STRING;
-    num[nvar] = 1;
-    which[nvar] = 0;
-    pad[nvar] = 0;
-    data[nvar] = new char*[num[nvar]];
-    copy(1,&arg[2],data[nvar]);
 
   // GETENV
   // remove pre-existing var if also style GETENV (allows it to be reset)
@@ -357,52 +363,63 @@ void Variable::set(int narg, char **arg)
     data[nvar][2] = NULL;
 
   // EQUAL
-  // remove pre-existing var if also style EQUAL (allows it to be reset)
+  // replace pre-existing var if also style EQUAL (allows it to be reset)
   // num = 2, which = 1st value
   // data = 2 values, 1st is string to eval, 2nd is filled on retrieval
 
   } else if (strcmp(arg[1],"equal") == 0) {
     if (narg != 3) error->all(FLERR,"Illegal variable command");
-    if (find(arg[0]) >= 0) {
-      if (style[find(arg[0])] != EQUAL)
+    int ivar = find(arg[0]);
+    if (ivar >= 0) {
+      if (style[ivar] != EQUAL)
         error->all(FLERR,"Cannot redefine variable as a different style");
-      remove(find(arg[0]));
+      delete [] data[ivar][0];
+      if (data[ivar][1]) delete [] data[ivar][1];
+      copy(1,&arg[2],data[ivar]);
+      data[ivar][1] = NULL;
+      replaceflag = 1;
+    } else {
+      if (nvar == maxvar) grow();
+      style[nvar] = EQUAL;
+      num[nvar] = 2;
+      which[nvar] = 0;
+      pad[nvar] = 0;
+      data[nvar] = new char*[num[nvar]];
+      copy(1,&arg[2],data[nvar]);
+      data[nvar][1] = NULL;
     }
-    if (nvar == maxvar) grow();
-    style[nvar] = EQUAL;
-    num[nvar] = 2;
-    which[nvar] = 0;
-    pad[nvar] = 0;
-    data[nvar] = new char*[num[nvar]];
-    copy(1,&arg[2],data[nvar]);
-    data[nvar][1] = NULL;
 
   // ATOM
-  // remove pre-existing var if also style ATOM (allows it to be reset)
+  // replace pre-existing var if also style ATOM (allows it to be reset)
   // num = 1, which = 1st value
   // data = 1 value, string to eval
 
   } else if (strcmp(arg[1],"atom") == 0) {
     if (narg != 3) error->all(FLERR,"Illegal variable command");
-    if (find(arg[0]) >= 0) {
-      if (style[find(arg[0])] != ATOM)
+    int ivar = find(arg[0]);
+    if (ivar >= 0) {
+      if (style[ivar] != ATOM)
         error->all(FLERR,"Cannot redefine variable as a different style");
-      remove(find(arg[0]));
+      delete [] data[ivar][0];
+      copy(1,&arg[2],data[ivar]);
+      replaceflag = 1;
+    } else {
+      if (nvar == maxvar) grow();
+      style[nvar] = ATOM;
+      num[nvar] = 1;
+      which[nvar] = 0;
+      pad[nvar] = 0;
+      data[nvar] = new char*[num[nvar]];
+      copy(1,&arg[2],data[nvar]);
     }
-    if (nvar == maxvar) grow();
-    style[nvar] = ATOM;
-    num[nvar] = 1;
-    which[nvar] = 0;
-    pad[nvar] = 0;
-    data[nvar] = new char*[num[nvar]];
-    copy(1,&arg[2],data[nvar]);
 
   } else error->all(FLERR,"Illegal variable command");
 
-  // set name of variable
-  // must come at end, since STRING/EQUAL/ATOM reset may have removed name
+  // set name of variable, if not replacing (STRING/EQUAL/ATOM)
   // name must be all alphanumeric chars or underscores
 
+  if (replaceflag) return;
+
   int n = strlen(arg[0]) + 1;
   names[nvar] = new char[n];
   strcpy(names[nvar],arg[0]);

From 560ca5bb7d6694ad9eea4670a1c218946c5d9d5f Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Fri, 6 Jun 2014 21:37:22 +0000
Subject: [PATCH 24/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12094
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/thermo.cpp | 33 +++++++++++++++++++++++++++++++--
 src/thermo.h   |  3 +++
 2 files changed, 34 insertions(+), 2 deletions(-)

diff --git a/src/thermo.cpp b/src/thermo.cpp
index 3b1d9f5f20..e4e6852f6b 100644
--- a/src/thermo.cpp
+++ b/src/thermo.cpp
@@ -29,6 +29,7 @@
 #include "compute.h"
 #include "input.h"
 #include "variable.h"
+#include "neighbor.h"
 #include "force.h"
 #include "pair.h"
 #include "bond.h"
@@ -54,7 +55,7 @@ using namespace MathConst;
 // xlat, ylat, zlat
 // bonds, angles, dihedrals, impropers,
 // pxx, pyy, pzz, pxy, pxz, pyz
-// fmax, fnorm
+// fmax, fnorm, nbuild, ndanger,
 // cella, cellb, cellc, cellalpha, cellbeta, cellgamma
 
 // customize a new thermo style by adding a DEFINE to this list
@@ -798,6 +799,11 @@ void Thermo::parse_fields(char *str)
     } else if (strcmp(word,"fnorm") == 0) {
       addfield("Fnorm",&Thermo::compute_fnorm,FLOAT);
 
+    } else if (strcmp(word,"nbuild") == 0) {
+      addfield("Nbuild",&Thermo::compute_nbuild,BIGINT);
+    } else if (strcmp(word,"ndanger") == 0) {
+      addfield("Ndanger",&Thermo::compute_ndanger,BIGINT);
+
     } else if (strcmp(word,"cella") == 0) {
       addfield("Cella",&Thermo::compute_cella,FLOAT);
     } else if (strcmp(word,"cellb") == 0) {
@@ -1368,10 +1374,19 @@ int Thermo::evaluate_keyword(char *word, double *answer)
       pressure->invoked_flag |= INVOKED_VECTOR;
     }
     compute_pyz();
+  }
 
-  } else if (strcmp(word,"fmax") == 0) compute_fmax();
+  else if (strcmp(word,"fmax") == 0) compute_fmax();
   else if (strcmp(word,"fnorm") == 0) compute_fnorm();
 
+  else if (strcmp(word,"nbuild") == 0) {
+    compute_nbuild();
+    dvalue = bivalue;
+  } else if (strcmp(word,"ndanger") == 0) {
+    compute_ndanger();
+    dvalue = bivalue;
+  }
+
   else if (strcmp(word,"cella") == 0) compute_cella();
   else if (strcmp(word,"cellb") == 0) compute_cellb();
   else if (strcmp(word,"cellc") == 0) compute_cellc();
@@ -1972,6 +1987,20 @@ void Thermo::compute_fnorm()
 
 /* ---------------------------------------------------------------------- */
 
+void Thermo::compute_nbuild()
+{
+  bivalue = neighbor->ncalls;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void Thermo::compute_ndanger()
+{
+  bivalue = neighbor->ndanger;
+}
+
+/* ---------------------------------------------------------------------- */
+
 void Thermo::compute_cella()
 {
   dvalue = domain->xprd;
diff --git a/src/thermo.h b/src/thermo.h
index 6dbbdd7e05..154800d143 100644
--- a/src/thermo.h
+++ b/src/thermo.h
@@ -184,6 +184,9 @@ class Thermo : protected Pointers {
   void compute_fmax();
   void compute_fnorm();
 
+  void compute_nbuild();
+  void compute_ndanger();
+
   void compute_cella();
   void compute_cellb();
   void compute_cellc();

From a466230f4a9e6d1a8b5be351cc53b4e01e7bc932 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Fri, 6 Jun 2014 21:52:31 +0000
Subject: [PATCH 25/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12095
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 examples/KAPPA/README     |      2 +
 examples/MC/README        |     33 +
 examples/MC/in.mc         |    118 +
 examples/MC/log.mc.6Jun14 | 106235 +++++++++++++++++++++++++++++++++++
 examples/README           |      9 +-
 5 files changed, 106396 insertions(+), 1 deletion(-)
 create mode 100644 examples/MC/README
 create mode 100644 examples/MC/in.mc
 create mode 100644 examples/MC/log.mc.6Jun14

diff --git a/examples/KAPPA/README b/examples/KAPPA/README
index adeda92fbb..ba4938c291 100644
--- a/examples/KAPPA/README
+++ b/examples/KAPPA/README
@@ -9,6 +9,8 @@ These scripts are provided for illustration purposes.  No guarantee is
 made that the systems are fully equilibrated or that the runs are long
 enough to generate good statistics and highly accurate results.
 
+These scripts could easily be adapted to work with solids as well.
+
 -------------
 
 These are the 4 methods for computing thermal conductivity.  The first
diff --git a/examples/MC/README b/examples/MC/README
new file mode 100644
index 0000000000..adbd13c420
--- /dev/null
+++ b/examples/MC/README
@@ -0,0 +1,33 @@
+This directory has an input script that illustrates how to use LAMMPS
+as an energy-evaluation engine in a Monte Carlo (MC) relaxation loop.
+It is just an illustration of how to do this for a toy 2d problem, but
+the script is fairly sophisticated in its use of variables, looping,
+and an if-the-else statement which applies the Boltzmann factor to
+accept or reject a trial atomic-displacement move.
+
+The script sets up a perfect 2d hex lattice, then perturbs all
+the atom positions to "disorder" the system.  It then
+loops in the following manner:
+
+pick a random atom and displace it to a random new position
+evaluate the change in energy of the system due to
+  the single-atom displacement
+accept or reject the trial move
+if accepted, continue to the next iteration
+if rejected, restore the atom to its original position
+  before continuing to the next iteration
+
+The 6 variables at the top of the input script can be adjusted
+to play with various MC parameters.
+
+When the script is finished, statistics about the MC procedure
+are printed.
+
+Dump file snapshots or images or a movie of the MC relaxation can be
+produced by uncommenting the appropriate dump lines in the script.
+
+At some point, we will add a Python script to the python/examples
+directory that performs the same operation as this script.  It will
+invoke LAMMPS as a library and use Python to implement the MC
+accept/reject logic more cleanly than the LAMMPS input script can do
+it.
diff --git a/examples/MC/in.mc b/examples/MC/in.mc
new file mode 100644
index 0000000000..aba2eb86f0
--- /dev/null
+++ b/examples/MC/in.mc
@@ -0,0 +1,118 @@
+# Monte Carlo relaxation of perturbed 2d hex lattice
+
+# set these parameters
+# make sure neigh skin > 2*deltamove
+
+variable iter loop 3000            # number of Monte Carlo moves
+variable deltaperturb equal 0.2    # max size of initial perturbation per dim
+variable deltamove equal 0.1       # max size of MC move in one dimension
+variable density equal 1.0         # reduced LJ density of atoms on lattice
+variable kT equal 0.05             # effective T in Boltzmann factor
+variable seed equal 582783         # RNG seed
+
+# problem setup
+
+units		lj
+atom_style	atomic
+atom_modify     map array sort 0 0.0
+
+dimension       2
+
+lattice		hex ${density}
+region		box block 0 10 0 5 -0.5 0.5
+
+create_box	1 box
+create_atoms	1 box
+mass		1 1.0
+
+pair_style	lj/cut 2.5
+pair_coeff	1 1 1.0 1.0 2.5
+pair_modify     shift yes
+
+neighbor	0.3 bin
+neigh_modify	delay 0 every 1 check yes
+
+variable        e equal pe
+
+# run 0 to get minimum energy of system
+
+run             0
+variable        emin equal $e
+
+# disorder the system
+# estart = initial energy
+
+variable        x atom x+v_deltaperturb*random(-1.0,1.0,${seed})
+variable        y atom y+v_deltaperturb*random(-1.0,1.0,${seed})
+
+set             group all x v_x
+set             group all y v_y
+
+#dump		1 all atom 25 dump.mc
+
+#dump		2 all image 25 image.*.jpg type type &
+#		zoom 1.6 adiam 1.0
+#dump_modify	2 pad 5
+
+#dump		3 all movie 25 movie.mpg type type &
+#		zoom 1.6 adiam 1.0
+#dump_modify	3 pad 5
+
+variable        elast equal $e
+thermo_style    custom step v_emin v_elast pe
+
+run             0
+
+variable        estart equal $e
+variable        elast equal $e
+
+# loop over Monte Carlo moves
+
+variable        naccept equal 0
+variable        increment equal v_naccept+1
+variable        irandom equal floor(atoms*random(0.0,1.0,${seed})+1)
+variable        rn equal random(0.0,1.0,${seed})
+variable        boltzfactor equal "exp(atoms*(v_elast - v_e) / v_kT)"
+variable        xnew equal x[v_i]+v_deltamove*random(-1.0,1.0,${seed})
+variable        ynew equal y[v_i]+v_deltamove*random(-1.0,1.0,${seed})
+variable        xi equal x[v_i]
+variable        yi equal y[v_i]
+
+label           loop
+
+variable        i equal ${irandom}
+
+variable        x0 equal ${xi}
+variable        y0 equal ${yi}
+
+set             atom $i x ${xnew}
+set             atom $i y ${ynew}
+
+run             1 pre no post no
+
+if              "$e <= ${elast}" then &
+                  "variable elast equal $e" &
+                  "variable naccept equal ${increment}" &
+                elif "${rn} <= ${boltzfactor}" &
+                  "variable elast equal $e" &
+                  "variable naccept equal ${increment}" &
+                else &
+                  "set atom $i x ${x0}" &
+                  "set atom $i y ${y0}"
+
+next            iter
+jump            SELF loop
+
+# final energy and stats
+
+variable       nb equal nbuild
+variable       nbuild equal ${nb}
+
+run             0
+
+print           "MC stats:"
+print           "  starting energy = ${estart}"
+print           "  final energy = $e"
+print           "  minimum energy of perfect lattice = ${emin}"
+print           "  accepted MC moves = ${naccept}"
+print           "  neighbor list rebuilds = ${nbuild}"
diff --git a/examples/MC/log.mc.6Jun14 b/examples/MC/log.mc.6Jun14
new file mode 100644
index 0000000000..5e70c42649
--- /dev/null
+++ b/examples/MC/log.mc.6Jun14
@@ -0,0 +1,106235 @@
+LAMMPS (4 Jun 2014)
+# Monte Carlo relaxation of perturbed 2d hex lattice
+
+# set these parameters
+# make sure neigh skin > 2*deltamove
+
+variable iter loop 3000            # number of Monte Carlo moves
+variable deltaperturb equal 0.2    # max size of initial perturbation per dim
+variable deltamove equal 0.1       # max size of MC move in one dimension
+variable density equal 1.0         # reduced LJ density of atoms on lattice
+variable kT equal 0.05             # effective T in Boltzmann factor
+variable seed equal 582783         # RNG seed
+
+# problem setup
+
+units		lj
+atom_style	atomic
+atom_modify     map array sort 0 0.0
+
+dimension       2
+
+lattice		hex ${density}
+lattice		hex 1
+Lattice spacing in x,y,z = 1.07457 1.86121 1.07457
+region		box block 0 10 0 5 -0.5 0.5
+
+create_box	1 box
+Created orthogonal box = (0 0 -0.537285) to (10.7457 9.30605 0.537285)
+  1 by 1 by 1 MPI processor grid
+create_atoms	1 box
+Created 100 atoms
+mass		1 1.0
+
+pair_style	lj/cut 2.5
+pair_coeff	1 1 1.0 1.0 2.5
+pair_modify     shift yes
+
+neighbor	0.3 bin
+neigh_modify	delay 0 every 1 check yes
+
+variable        e equal pe
+
+# run 0 to get minimum energy of system
+
+run             0
+WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
+Memory usage per processor = 2.35582 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            0   -2.9871562            0   -2.9871562    5.8100167 
+Loop time of 9.53674e-07 on 1 procs for 0 steps with 100 atoms
+
+Pair  time (%) = 0 (0)
+Neigh time (%) = 0 (0)
+Comm  time (%) = 0 (0)
+Outpt time (%) = 0 (0)
+Other time (%) = 9.53674e-07 (100)
+
+Nlocal:    100 ave 100 max 100 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    164 ave 164 max 164 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    900 ave 900 max 900 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 900
+Ave neighs/atom = 9
+Neighbor list builds = 0
+Dangerous builds = 0
+variable        emin equal $e
+variable        emin equal -2.98715616447945
+
+# disorder the system
+# estart = initial energy
+
+variable        x atom x+v_deltaperturb*random(-1.0,1.0,${seed})
+variable        x atom x+v_deltaperturb*random(-1.0,1.0,582783)
+variable        y atom y+v_deltaperturb*random(-1.0,1.0,${seed})
+variable        y atom y+v_deltaperturb*random(-1.0,1.0,582783)
+
+set             group all x v_x
+  100 settings made for x
+set             group all y v_y
+  100 settings made for y
+
+#dump		1 all atom 25 dump.mc
+
+#dump		2 all image 25 image.*.jpg type type #		zoom 1.6 adiam 1.0
+#dump_modify	2 pad 5
+
+#dump		3 all movie 25 movie.mpg type type #		zoom 1.6 adiam 1.0
+#dump_modify	3 pad 5
+
+variable        elast equal $e
+variable        elast equal -2.98715616447945
+thermo_style    custom step v_emin v_elast pe
+
+run             0
+WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
+Memory usage per processor = 2.35582 Mbytes
+Step emin elast PotEng 
+       0   -2.9871562   -2.9871562     19.87543 
+Loop time of 0 on 1 procs for 0 steps with 100 atoms
+
+Pair  time (%) = 0 (0)
+Neigh time (%) = 0 (0)
+Comm  time (%) = 0 (0)
+Outpt time (%) = 0 (0)
+Other time (%) = 0 (0)
+
+Nlocal:    100 ave 100 max 100 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    143 ave 143 max 143 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    1136 ave 1136 max 1136 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 1136
+Ave neighs/atom = 11.36
+Neighbor list builds = 0
+Dangerous builds = 0
+
+variable        estart equal $e
+variable        estart equal 19.8754304552668
+variable        elast equal $e
+variable        elast equal 19.8754304552668
+
+# loop over Monte Carlo moves
+
+variable        naccept equal 0
+variable        increment equal v_naccept+1
+variable        irandom equal floor(atoms*random(0.0,1.0,${seed})+1)
+variable        irandom equal floor(atoms*random(0.0,1.0,582783)+1)
+variable        rn equal random(0.0,1.0,${seed})
+variable        rn equal random(0.0,1.0,582783)
+variable        boltzfactor equal "exp(atoms*(v_elast - v_e) / v_kT)"
+variable        xnew equal x[v_i]+v_deltamove*random(-1.0,1.0,${seed})
+variable        xnew equal x[v_i]+v_deltamove*random(-1.0,1.0,582783)
+variable        ynew equal y[v_i]+v_deltamove*random(-1.0,1.0,${seed})
+variable        ynew equal y[v_i]+v_deltamove*random(-1.0,1.0,582783)
+variable        xi equal x[v_i]
+variable        yi equal y[v_i]
+
+label           loop
+
+variable        i equal ${irandom}
+variable        i equal 67
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.31983859300175
+variable        y0 equal ${yi}
+variable        y0 equal 5.53878562395769
+
+set             atom $i x ${xnew}
+set             atom 67 x ${xnew}
+set             atom 67 x 3.35001522063771
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 67 y ${ynew}
+set             atom 67 y 5.45133864824968
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+       0   -2.9871562     19.87543     19.87543 
+       1   -2.9871562     19.87543    19.875171 
+Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 19.8751706852663
+variable naccept equal ${increment}
+variable naccept equal 1
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.09856477419243
+variable        y0 equal ${yi}
+variable        y0 equal 7.42882086363101
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.02981423775063
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.522526231673
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+       1   -2.9871562    19.875171    19.875171 
+       2   -2.9871562    19.875171    20.093202 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.09856477419243
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.42882086363101
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.719713945785428
+variable        y0 equal ${yi}
+variable        y0 equal 2.71912268372872
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.722218807140256
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.76135655614236
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+       2   -2.9871562    19.875171    20.093202 
+       3   -2.9871562    19.875171    19.883001 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.719713945785428
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.71912268372872
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 37
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.57807252564852
+variable        y0 equal ${yi}
+variable        y0 equal 1.80887765071458
+
+set             atom $i x ${xnew}
+set             atom 37 x ${xnew}
+set             atom 37 x 8.51145575204317
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 37 y ${ynew}
+set             atom 37 y 1.77417989156312
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+       3   -2.9871562    19.875171    19.883001 
+       4   -2.9871562    19.875171    19.834909 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 19.8349085700656
+variable naccept equal ${increment}
+variable naccept equal 2
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 10
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.92003243803321
+variable        y0 equal ${yi}
+variable        y0 equal 0.999847026574939
+
+set             atom $i x ${xnew}
+set             atom 10 x ${xnew}
+set             atom 10 x 4.86377175688087
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 10 y ${ynew}
+set             atom 10 y 0.979123874414294
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+       4   -2.9871562    19.834909    19.834909 
+       5   -2.9871562    19.834909    19.816168 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 19.816167909403
+variable naccept equal ${increment}
+variable naccept equal 3
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 43
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.1098904760664
+variable        y0 equal ${yi}
+variable        y0 equal 3.65244479937684
+
+set             atom $i x ${xnew}
+set             atom 43 x ${xnew}
+set             atom 43 x 1.0444017084425
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 43 y ${ynew}
+set             atom 43 y 3.71522757573259
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+       5   -2.9871562    19.816168    19.816168 
+       6   -2.9871562    19.816168    19.778169 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 19.778168827336
+variable naccept equal ${increment}
+variable naccept equal 4
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.04925338942558
+variable        y0 equal ${yi}
+variable        y0 equal 4.83641620034143
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 9.14046787936241
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.91141740435526
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+       6   -2.9871562    19.778169    19.778169 
+       7   -2.9871562    19.778169    19.724242 
+Loop time of 4.69685e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 19.7242418002834
+variable naccept equal ${increment}
+variable naccept equal 5
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 62
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.691218562522794
+variable        y0 equal ${yi}
+variable        y0 equal 6.6783623887681
+
+set             atom $i x ${xnew}
+set             atom 62 x ${xnew}
+set             atom 62 x 0.687206132808591
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 62 y ${ynew}
+set             atom 62 y 6.71973626152506
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+       7   -2.9871562    19.724242    19.724242 
+       8   -2.9871562    19.724242    19.728461 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 62 x ${x0}
+set atom 62 x 0.691218562522794
+  1 settings made for x
+set atom $i y ${y0}
+set atom 62 y ${y0}
+set atom 62 y 6.6783623887681
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 41
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6696014960461
+variable        y0 equal ${yi}
+variable        y0 equal 3.80356412692201
+
+set             atom $i x ${xnew}
+set             atom 41 x ${xnew}
+set             atom 41 x 10.6088752349072
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 41 y ${ynew}
+set             atom 41 y 3.8839279727472
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+       8   -2.9871562    19.724242    19.728461 
+       9   -2.9871562    19.724242    20.466811 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 41 x ${x0}
+set atom 41 x 10.6696014960461
+  1 settings made for x
+set atom $i y ${y0}
+set atom 41 y ${y0}
+set atom 41 y 3.80356412692201
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 73
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.54691466807443
+variable        y0 equal ${yi}
+variable        y0 equal 5.42711579745012
+
+set             atom $i x ${xnew}
+set             atom 73 x ${xnew}
+set             atom 73 x 6.50041027783471
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 73 y ${ynew}
+set             atom 73 y 5.47833287661272
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+       9   -2.9871562    19.724242    20.466811 
+      10   -2.9871562    19.724242       19.599 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 19.5990001780311
+variable naccept equal ${increment}
+variable naccept equal 6
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 24
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.65866128086825
+variable        y0 equal ${yi}
+variable        y0 equal 2.87525559636453
+
+set             atom $i x ${xnew}
+set             atom 24 x ${xnew}
+set             atom 24 x 1.60067266106387
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 24 y ${ynew}
+set             atom 24 y 2.86601213189462
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      10   -2.9871562       19.599       19.599 
+      11   -2.9871562       19.599    19.625342 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 24 x ${x0}
+set atom 24 x 1.65866128086825
+  1 settings made for x
+set atom $i y ${y0}
+set atom 24 y ${y0}
+set atom 24 y 2.87525559636453
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 3
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.899675980407526
+variable        y0 equal ${yi}
+variable        y0 equal 0.0629464387893677
+
+set             atom $i x ${xnew}
+set             atom 3 x ${xnew}
+set             atom 3 x 0.885172382194331
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 3 y ${ynew}
+set             atom 3 y 0.0248975276947021
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      11   -2.9871562       19.599    19.625342 
+      12   -2.9871562       19.599    19.596566 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 19.5965661780388
+variable naccept equal ${increment}
+variable naccept equal 7
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.91530903855011
+variable        y0 equal ${yi}
+variable        y0 equal 1.11940745900902
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.93296931067154
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 1.16690846275124
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      12   -2.9871562    19.596566    19.596566 
+      13   -2.9871562    19.596566    19.619881 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 14 x ${x0}
+set atom 14 x 6.91530903855011
+  1 settings made for x
+set atom $i y ${y0}
+set atom 14 y ${y0}
+set atom 14 y 1.11940745900902
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.31418604373056
+variable        y0 equal ${yi}
+variable        y0 equal 0.0189682483673096
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.27208027361947
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y 0.072885262966156
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      13   -2.9871562    19.596566    19.619881 
+      14   -2.9871562    19.596566    19.713104 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 13 x ${x0}
+set atom 13 x 6.31418604373056
+  1 settings made for x
+set atom $i y ${y0}
+set atom 13 y ${y0}
+set atom 13 y 0.0189682483673096
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.3520849827787
+variable        y0 equal ${yi}
+variable        y0 equal 6.4551667644166
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.4168390993139
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.54333410994044
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      14   -2.9871562    19.596566    19.713104 
+      15   -2.9871562    19.596566    19.585059 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 19.585058825033
+variable naccept equal ${increment}
+variable naccept equal 8
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 17
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.55511315026705
+variable        y0 equal ${yi}
+variable        y0 equal 9.1494782041344
+
+set             atom $i x ${xnew}
+set             atom 17 x ${xnew}
+set             atom 17 x 8.59039665618364
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 17 y ${ynew}
+set             atom 17 y 9.09379884708255
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      15   -2.9871562    19.585059    19.585059 
+      16   -2.9871562    19.585059    19.670395 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 17 x ${x0}
+set atom 17 x 8.55511315026705
+  1 settings made for x
+set atom $i y ${y0}
+set atom 17 y ${y0}
+set atom 17 y 9.1494782041344
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.87383556564284
+variable        y0 equal ${yi}
+variable        y0 equal 1.03382689546379
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.83154005010558
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 1.03624491285118
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      16   -2.9871562    19.585059    19.670395 
+      17   -2.9871562    19.585059    19.251621 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 19.2516210599203
+variable naccept equal ${increment}
+variable naccept equal 9
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.01025660871802
+variable        y0 equal ${yi}
+variable        y0 equal 6.54333757893076
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.92266065716086
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.62030437723627
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      17   -2.9871562    19.251621    19.251621 
+      18   -2.9871562    19.251621    19.291111 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 5.01025660871802
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.54333757893076
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.53573410709334
+variable        y0 equal ${yi}
+variable        y0 equal 4.500105766
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.57122090061141
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.51594142073557
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      18   -2.9871562    19.251621    19.291111 
+      19   -2.9871562    19.251621    19.124928 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 19.1249278346859
+variable naccept equal ${increment}
+variable naccept equal 10
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 75
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.39024022657644
+variable        y0 equal ${yi}
+variable        y0 equal 5.48026459162432
+
+set             atom $i x ${xnew}
+set             atom 75 x ${xnew}
+set             atom 75 x 7.43141517479192
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 75 y ${ynew}
+set             atom 75 y 5.56478210632998
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      19   -2.9871562    19.124928    19.124928 
+      20   -2.9871562    19.124928    19.070456 
+Loop time of 4.60148e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 19.0704555558795
+variable naccept equal ${increment}
+variable naccept equal 11
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 94
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.0883078245227
+variable        y0 equal ${yi}
+variable        y0 equal 8.34910107769069
+
+set             atom $i x ${xnew}
+set             atom 94 x ${xnew}
+set             atom 94 x 7.05518697777435
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 94 y ${ynew}
+set             atom 94 y 8.4427619925886
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      20   -2.9871562    19.070456    19.070456 
+      21   -2.9871562    19.070456    19.073796 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 94 x ${x0}
+set atom 94 x 7.0883078245227
+  1 settings made for x
+set atom $i y ${y0}
+set atom 94 y ${y0}
+set atom 94 y 8.34910107769069
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.30100279251004
+variable        y0 equal ${yi}
+variable        y0 equal 7.47468527879977
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.23512814441587
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.4514672311809
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      21   -2.9871562    19.070456    19.073796 
+      22   -2.9871562    19.070456     19.11176 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 91 x ${x0}
+set atom 91 x 5.30100279251004
+  1 settings made for x
+set atom $i y ${y0}
+set atom 91 y ${y0}
+set atom 91 y 7.47468527879977
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 30
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.99629238485633
+variable        y0 equal ${yi}
+variable        y0 equal 2.89414590569833
+
+set             atom $i x ${xnew}
+set             atom 30 x ${xnew}
+set             atom 30 x 5.01660313247977
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 30 y ${ynew}
+set             atom 30 y 2.96598122092584
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      22   -2.9871562    19.070456     19.11176 
+      23   -2.9871562    19.070456    19.117671 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 30 x ${x0}
+set atom 30 x 4.99629238485633
+  1 settings made for x
+set atom $i y ${y0}
+set atom 30 y ${y0}
+set atom 30 y 2.89414590569833
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.22011345068322
+variable        y0 equal ${yi}
+variable        y0 equal 5.54479777758318
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.14360496441231
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.58843240683275
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      23   -2.9871562    19.070456    19.117671 
+      24   -2.9871562    19.070456    19.074151 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 65 x ${x0}
+set atom 65 x 2.22011345068322
+  1 settings made for x
+set atom $i y ${y0}
+set atom 65 y ${y0}
+set atom 65 y 5.54479777758318
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.2201821148286
+variable        y0 equal ${yi}
+variable        y0 equal 8.21731802143153
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.16465403436519
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.25818215526637
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      24   -2.9871562    19.070456    19.074151 
+      25   -2.9871562    19.070456    18.515789 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 18.5157889451195
+variable naccept equal ${increment}
+variable naccept equal 12
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.57122090061141
+variable        y0 equal ${yi}
+variable        y0 equal 4.51594142073557
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.47387929161025
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.48001798743174
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      25   -2.9871562    18.515789    18.515789 
+      26   -2.9871562    18.515789     19.13036 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.57122090061141
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.51594142073557
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 33
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.35441081046182
+variable        y0 equal ${yi}
+variable        y0 equal 2.03853301189011
+
+set             atom $i x ${xnew}
+set             atom 33 x ${xnew}
+set             atom 33 x 6.40621244429666
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 33 y ${ynew}
+set             atom 33 y 2.0462150373227
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      26   -2.9871562    18.515789     19.13036 
+      27   -2.9871562    18.515789    17.937864 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 17.937864254582
+variable naccept equal ${increment}
+variable naccept equal 13
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.30100279251004
+variable        y0 equal ${yi}
+variable        y0 equal 7.47468527879977
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.29210563102628
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.44114682998919
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      27   -2.9871562    17.937864    17.937864 
+      28   -2.9871562    17.937864    17.956965 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 91 x ${x0}
+set atom 91 x 5.30100279251004
+  1 settings made for x
+set atom $i y ${y0}
+set atom 91 y ${y0}
+set atom 91 y 7.47468527879977
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.14046787936241
+variable        y0 equal ${yi}
+variable        y0 equal 4.91141740435526
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 9.21031779963524
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.89201650971338
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      28   -2.9871562    17.937864    17.956965 
+      29   -2.9871562    17.937864    17.932203 
+Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 17.9322028336925
+variable naccept equal ${increment}
+variable naccept equal 14
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 66
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.71809613902999
+variable        y0 equal ${yi}
+variable        y0 equal 6.45324923531046
+
+set             atom $i x ${xnew}
+set             atom 66 x ${xnew}
+set             atom 66 x 2.65725789268447
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 66 y ${ynew}
+set             atom 66 y 6.50960343615046
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      29   -2.9871562    17.932203    17.932203 
+      30   -2.9871562    17.932203     17.93442 
+Loop time of 6.10352e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 66 x ${x0}
+set atom 66 x 2.71809613902999
+  1 settings made for x
+set atom $i y ${y0}
+set atom 66 y ${y0}
+set atom 66 y 6.45324923531046
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 26
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.76917257507277
+variable        y0 equal ${yi}
+variable        y0 equal 2.98904126855233
+
+set             atom $i x ${xnew}
+set             atom 26 x ${xnew}
+set             atom 26 x 2.86858709056807
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 26 y ${ynew}
+set             atom 26 y 2.95837806435922
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      30   -2.9871562    17.932203     17.93442 
+      31   -2.9871562    17.932203    18.035828 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 26 x ${x0}
+set atom 26 x 2.76917257507277
+  1 settings made for x
+set atom $i y ${y0}
+set atom 26 y ${y0}
+set atom 26 y 2.98904126855233
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.52707438865567
+variable        y0 equal ${yi}
+variable        y0 equal 1.99075993678635
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.47277832427884
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 2.00024406097001
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      31   -2.9871562    17.932203    18.035828 
+      32   -2.9871562    17.932203    17.784445 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 17.7844447623833
+variable naccept equal ${increment}
+variable naccept equal 15
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 98
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.06676752287895
+variable        y0 equal ${yi}
+variable        y0 equal 8.34106284297999
+
+set             atom $i x ${xnew}
+set             atom 98 x ${xnew}
+set             atom 98 x 9.1440482588485
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 98 y ${ynew}
+set             atom 98 y 8.36340260423716
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      32   -2.9871562    17.784445    17.784445 
+      33   -2.9871562    17.784445    17.692888 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 17.6928883978573
+variable naccept equal ${increment}
+variable naccept equal 16
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.27723546424772
+variable        y0 equal ${yi}
+variable        y0 equal 9.22775135743945
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.31181888976957
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y 9.3120599697861
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      33   -2.9871562    17.692888    17.692888 
+      34   -2.9871562    17.692888    17.679107 
+Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 17.6791071684474
+variable naccept equal ${increment}
+variable naccept equal 17
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.74866355538149
+variable        y0 equal ${yi}
+variable        y0 equal 0.808928366411059
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.79875581145068
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 0.772582419622272
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      34   -2.9871562    17.679107    17.679107 
+      35   -2.9871562    17.679107    19.412672 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 4 x ${x0}
+set atom 4 x 1.74866355538149
+  1 settings made for x
+set atom $i y ${y0}
+set atom 4 y ${y0}
+set atom 4 y 0.808928366411059
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.30660796562101
+variable        y0 equal ${yi}
+variable        y0 equal 5.55641617720324
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.37099469104673
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.65502952282625
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      35   -2.9871562    17.679107    19.412672 
+      36   -2.9871562    17.679107    17.564301 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 17.5643012965518
+variable naccept equal ${increment}
+variable naccept equal 18
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.09745645482532
+variable        y0 equal ${yi}
+variable        y0 equal 6.65534045235148
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 6.07316641767017
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.61742822662821
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      36   -2.9871562    17.564301    17.564301 
+      37   -2.9871562    17.564301    17.084321 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 17.0843208121854
+variable naccept equal ${increment}
+variable naccept equal 19
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 76
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.01283839343883
+variable        y0 equal ${yi}
+variable        y0 equal 6.39706618324747
+
+set             atom $i x ${xnew}
+set             atom 76 x ${xnew}
+set             atom 76 x 8.07761350272991
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 76 y ${ynew}
+set             atom 76 y 6.34006187454691
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      37   -2.9871562    17.084321    17.084321 
+      38   -2.9871562    17.084321     18.06914 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 76 x ${x0}
+set atom 76 x 8.01283839343883
+  1 settings made for x
+set atom $i y ${y0}
+set atom 76 y ${y0}
+set atom 76 y 6.39706618324747
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 38
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.32428281027824
+variable        y0 equal ${yi}
+variable        y0 equal 2.640500294889
+
+set             atom $i x ${xnew}
+set             atom 38 x ${xnew}
+set             atom 38 x 9.38390898425133
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 38 y ${ynew}
+set             atom 38 y 2.55098098489144
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      38   -2.9871562    17.084321     18.06914 
+      39   -2.9871562    17.084321    18.393968 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 38 x ${x0}
+set atom 38 x 9.32428281027824
+  1 settings made for x
+set atom $i y ${y0}
+set atom 38 y ${y0}
+set atom 38 y 2.640500294889
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.31418604373056
+variable        y0 equal ${yi}
+variable        y0 equal 0.0189682483673096
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.29888965605814
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y 0.0863850116729737
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      39   -2.9871562    17.084321    18.393968 
+      40   -2.9871562    17.084321    17.191907 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 13 x ${x0}
+set atom 13 x 6.31418604373056
+  1 settings made for x
+set atom $i y ${y0}
+set atom 13 y ${y0}
+set atom 13 y 0.0189682483673096
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.05527156868621
+variable        y0 equal ${yi}
+variable        y0 equal 4.53311400765344
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 7.02028425017044
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.49638266915247
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      40   -2.9871562    17.084321    17.191907 
+      41   -2.9871562    17.084321    17.115815 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.05527156868621
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.53311400765344
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 12
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.8571848150014
+variable        y0 equal ${yi}
+variable        y0 equal 0.822012730348437
+
+set             atom $i x ${xnew}
+set             atom 12 x ${xnew}
+set             atom 12 x 5.86131451089374
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 12 y ${ynew}
+set             atom 12 y 0.740698393094867
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      41   -2.9871562    17.084321    17.115815 
+      42   -2.9871562    17.084321    17.252873 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 12 x ${x0}
+set atom 12 x 5.8571848150014
+  1 settings made for x
+set atom $i y ${y0}
+set atom 12 y ${y0}
+set atom 12 y 0.822012730348437
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.31418604373056
+variable        y0 equal ${yi}
+variable        y0 equal 0.0189682483673096
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.31983832835275
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y -0.0248208999633789
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      42   -2.9871562    17.084321    17.252873 
+      43   -2.9871562    17.084321    17.066264 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 17.0662643354193
+variable naccept equal ${increment}
+variable naccept equal 20
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.91530903855011
+variable        y0 equal ${yi}
+variable        y0 equal 1.11940745900902
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.85535389462158
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 1.0833966691378
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      43   -2.9871562    17.066264    17.066264 
+      44   -2.9871562    17.066264    17.057026 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 17.057026355521
+variable naccept equal ${increment}
+variable naccept equal 21
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.84272302905207
+variable        y0 equal ${yi}
+variable        y0 equal 8.33777378715571
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.79234360972529
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.42946973957118
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      44   -2.9871562    17.057026    17.057026 
+      45   -2.9871562    17.057026    16.843591 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 16.8435907942567
+variable naccept equal ${increment}
+variable naccept equal 22
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 7
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.20307075738469
+variable        y0 equal ${yi}
+variable        y0 equal 9.20901408899158
+
+set             atom $i x ${xnew}
+set             atom 7 x ${xnew}
+set             atom 7 x 3.16256167649785
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 7 y ${ynew}
+set             atom 7 y 9.14184566247791
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      45   -2.9871562    16.843591    16.843591 
+      46   -2.9871562    16.843591    18.617009 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 7 x ${x0}
+set atom 7 x 3.20307075738469
+  1 settings made for x
+set atom $i y ${y0}
+set atom 7 y ${y0}
+set atom 7 y 9.20901408899158
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.921552959281733
+variable        y0 equal ${yi}
+variable        y0 equal 7.62894815531039
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 0.896000686485102
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.60953246679568
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      46   -2.9871562    16.843591    18.617009 
+      47   -2.9871562    16.843591    16.445061 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 16.4450605937769
+variable naccept equal ${increment}
+variable naccept equal 23
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 35
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.41438506681692
+variable        y0 equal ${yi}
+variable        y0 equal 1.98046206615037
+
+set             atom $i x ${xnew}
+set             atom 35 x ${xnew}
+set             atom 35 x 7.39196330148946
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 35 y ${ynew}
+set             atom 35 y 2.04386005780762
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      47   -2.9871562    16.445061    16.445061 
+      48   -2.9871562    16.445061    17.257636 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 35 x ${x0}
+set atom 35 x 7.41438506681692
+  1 settings made for x
+set atom $i y ${y0}
+set atom 35 y ${y0}
+set atom 35 y 1.98046206615037
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.21031779963524
+variable        y0 equal ${yi}
+variable        y0 equal 4.89201650971338
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 9.19671131093056
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.96256972903177
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      48   -2.9871562    16.445061    17.257636 
+      49   -2.9871562    16.445061    16.489479 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 58 x ${x0}
+set atom 58 x 9.21031779963524
+  1 settings made for x
+set atom $i y ${y0}
+set atom 58 y ${y0}
+set atom 58 y 4.89201650971338
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 63
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.02839840968304
+variable        y0 equal ${yi}
+variable        y0 equal 5.71279270594316
+
+set             atom $i x ${xnew}
+set             atom 63 x ${xnew}
+set             atom 63 x 0.976716128188898
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 63 y ${ynew}
+set             atom 63 y 5.65420879070955
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      49   -2.9871562    16.445061    16.489479 
+      50   -2.9871562    16.445061    16.408654 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 16.4086538722685
+variable naccept equal ${increment}
+variable naccept equal 24
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 93
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.37631308554727
+variable        y0 equal ${yi}
+variable        y0 equal 7.36138624277377
+
+set             atom $i x ${xnew}
+set             atom 93 x ${xnew}
+set             atom 93 x 6.39294121979791
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 93 y ${ynew}
+set             atom 93 y 7.42644421186709
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      50   -2.9871562    16.408654    16.408654 
+      51   -2.9871562    16.408654    16.122104 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 16.1221040480217
+variable naccept equal ${increment}
+variable naccept equal 25
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 36
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.9432972490678
+variable        y0 equal ${yi}
+variable        y0 equal 2.61277595731118
+
+set             atom $i x ${xnew}
+set             atom 36 x ${xnew}
+set             atom 36 x 8.01059742568828
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 36 y ${ynew}
+set             atom 36 y 2.53279972049096
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      51   -2.9871562    16.122104    16.122104 
+      52   -2.9871562    16.122104    16.135223 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 36 x ${x0}
+set atom 36 x 7.9432972490678
+  1 settings made for x
+set atom $i y ${y0}
+set atom 36 y ${y0}
+set atom 36 y 2.61277595731118
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.72210182467585
+variable        y0 equal ${yi}
+variable        y0 equal 2.743234502996
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.71409282008296
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.80584219666818
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      52   -2.9871562    16.122104    16.135223 
+      53   -2.9871562    16.122104    16.055103 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 16.0551027060988
+variable naccept equal ${increment}
+variable naccept equal 26
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.52176420846407
+variable        y0 equal ${yi}
+variable        y0 equal 5.75549187605577
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.50292923608248
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.70168124382692
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      53   -2.9871562    16.055103    16.055103 
+      54   -2.9871562    16.055103    15.919408 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 15.9194082271283
+variable naccept equal ${increment}
+variable naccept equal 27
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1794071558973
+variable        y0 equal ${yi}
+variable        y0 equal 2.92664810391763
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.1943303588887
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.96711560460427
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      54   -2.9871562    15.919408    15.919408 
+      55   -2.9871562    15.919408    16.097649 
+Loop time of 6.69956e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.1794071558973
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.92664810391763
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.70685690521975
+variable        y0 equal ${yi}
+variable        y0 equal 4.57956161850854
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.61105832934161
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.50049876326486
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      55   -2.9871562    15.919408    16.097649 
+      56   -2.9871562    15.919408    15.829413 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 15.8294126732767
+variable naccept equal ${increment}
+variable naccept equal 28
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.07316641767017
+variable        y0 equal ${yi}
+variable        y0 equal 6.61742822662821
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 6.05597597320072
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.6133103562974
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      56   -2.9871562    15.829413    15.829413 
+      57   -2.9871562    15.829413    15.808217 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 15.808217339173
+variable naccept equal ${increment}
+variable naccept equal 29
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.36135188181173
+variable        y0 equal ${yi}
+variable        y0 equal 0.154561471939087
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.40439954836141
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y 0.238874340057373
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      57   -2.9871562    15.808217    15.808217 
+      58   -2.9871562    15.808217    15.864804 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 15 x ${x0}
+set atom 15 x 7.36135188181173
+  1 settings made for x
+set atom $i y ${y0}
+set atom 15 y ${y0}
+set atom 15 y 0.154561471939087
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.05527156868621
+variable        y0 equal ${yi}
+variable        y0 equal 4.53311400765344
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 7.01640323677703
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.60422450655862
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      58   -2.9871562    15.808217    15.864804 
+      59   -2.9871562    15.808217    15.817571 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.05527156868621
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.53311400765344
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 60
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.2862324360868
+variable        y0 equal ${yi}
+variable        y0 equal 4.57200613373682
+
+set             atom $i x ${xnew}
+set             atom 60 x ${xnew}
+set             atom 60 x 10.1877771977445
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 60 y ${ynew}
+set             atom 60 y 4.48406249636575
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      59   -2.9871562    15.808217    15.817571 
+      60   -2.9871562    15.808217    15.700676 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 15.7006759604578
+variable naccept equal ${increment}
+variable naccept equal 30
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.17682720501634
+variable        y0 equal ${yi}
+variable        y0 equal 1.78538526675767
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.16004684050294
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.69950210235184
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      60   -2.9871562    15.700676    15.700676 
+      61   -2.9871562    15.700676    16.255007 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.17682720501634
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.78538526675767
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 30
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.99629238485633
+variable        y0 equal ${yi}
+variable        y0 equal 2.89414590569833
+
+set             atom $i x ${xnew}
+set             atom 30 x ${xnew}
+set             atom 30 x 4.92452969192802
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 30 y ${ynew}
+set             atom 30 y 2.87330106469491
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      61   -2.9871562    15.700676    16.255007 
+      62   -2.9871562    15.700676    15.678683 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 15.6786834685776
+variable naccept equal ${increment}
+variable naccept equal 31
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 39
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.48253180264112
+variable        y0 equal ${yi}
+variable        y0 equal 1.83061694285935
+
+set             atom $i x ${xnew}
+set             atom 39 x ${xnew}
+set             atom 39 x 9.39330142019865
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 39 y ${ynew}
+set             atom 39 y 1.86790424964493
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      62   -2.9871562    15.678683    15.678683 
+      63   -2.9871562    15.678683    16.142272 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 39 x ${x0}
+set atom 39 x 9.48253180264112
+  1 settings made for x
+set atom $i y ${y0}
+set atom 39 y ${y0}
+set atom 39 y 1.83061694285935
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.50235789218808
+variable        y0 equal ${yi}
+variable        y0 equal 3.73372400565278
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.59728396335508
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.82835243506563
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      63   -2.9871562    15.678683    16.142272 
+      64   -2.9871562    15.678683    16.399166 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 51 x ${x0}
+set atom 51 x 5.50235789218808
+  1 settings made for x
+set atom $i y ${y0}
+set atom 51 y ${y0}
+set atom 51 y 3.73372400565278
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.50292923608248
+variable        y0 equal ${yi}
+variable        y0 equal 5.70168124382692
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.50696252742235
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.69319788162904
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      64   -2.9871562    15.678683    16.399166 
+      65   -2.9871562    15.678683    15.653887 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 15.6538869035135
+variable naccept equal ${increment}
+variable naccept equal 32
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 23
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.22457233985119
+variable        y0 equal ${yi}
+variable        y0 equal 1.83873361728257
+
+set             atom $i x ${xnew}
+set             atom 23 x ${xnew}
+set             atom 23 x 1.28295802195721
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 23 y ${ynew}
+set             atom 23 y 1.93527294776505
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      65   -2.9871562    15.653887    15.653887 
+      66   -2.9871562    15.653887    15.791721 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 23 x ${x0}
+set atom 23 x 1.22457233985119
+  1 settings made for x
+set atom $i y ${y0}
+set atom 23 y ${y0}
+set atom 23 y 1.83873361728257
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 84
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.69912415623446
+variable        y0 equal ${yi}
+variable        y0 equal 8.28526519455012
+
+set             atom $i x ${xnew}
+set             atom 84 x ${xnew}
+set             atom 84 x 1.60833325266619
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 84 y ${ynew}
+set             atom 84 y 8.19496456302699
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      66   -2.9871562    15.653887    15.791721 
+      67   -2.9871562    15.653887    15.746238 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 84 x ${x0}
+set atom 84 x 1.69912415623446
+  1 settings made for x
+set atom $i y ${y0}
+set atom 84 y ${y0}
+set atom 84 y 8.28526519455012
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 7
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.20307075738469
+variable        y0 equal ${yi}
+variable        y0 equal 9.20901408899158
+
+set             atom $i x ${xnew}
+set             atom 7 x ${xnew}
+set             atom 7 x 3.22592073440114
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 7 y ${ynew}
+set             atom 7 y 9.17865097034305
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      67   -2.9871562    15.653887    15.746238 
+      68   -2.9871562    15.653887     15.88039 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 7 x ${x0}
+set atom 7 x 3.20307075738469
+  1 settings made for x
+set atom $i y ${y0}
+set atom 7 y ${y0}
+set atom 7 y 9.20901408899158
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.47277832427884
+variable        y0 equal ${yi}
+variable        y0 equal 2.00024406097001
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.44531484046842
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 2.01137088916367
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      68   -2.9871562    15.653887     15.88039 
+      69   -2.9871562    15.653887    15.619008 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 15.6190081436482
+variable naccept equal ${increment}
+variable naccept equal 33
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 19
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.54015185116407
+variable        y0 equal ${yi}
+variable        y0 equal 0.168617224693298
+
+set             atom $i x ${xnew}
+set             atom 19 x ${xnew}
+set             atom 19 x 9.45775363920805
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 19 y ${ynew}
+set             atom 19 y 0.216169250011444
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      69   -2.9871562    15.619008    15.619008 
+      70   -2.9871562    15.619008     15.74545 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 19 x ${x0}
+set atom 19 x 9.54015185116407
+  1 settings made for x
+set atom $i y ${y0}
+set atom 19 y ${y0}
+set atom 19 y 0.168617224693298
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.597638221183683
+variable        y0 equal ${yi}
+variable        y0 equal 0.891803069818347
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.572734029689695
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.878126867521136
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      70   -2.9871562    15.619008     15.74545 
+      71   -2.9871562    15.619008    15.661858 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.597638221183683
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 0.891803069818347
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.79234360972529
+variable        y0 equal ${yi}
+variable        y0 equal 8.42946973957118
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.74200649777537
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.32967373050746
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      71   -2.9871562    15.619008    15.661858 
+      72   -2.9871562    15.619008    15.544182 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 15.5441819243733
+variable naccept equal ${increment}
+variable naccept equal 34
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 43
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.0444017084425
+variable        y0 equal ${yi}
+variable        y0 equal 3.71522757573259
+
+set             atom $i x ${xnew}
+set             atom 43 x ${xnew}
+set             atom 43 x 1.04860306103878
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 43 y ${ynew}
+set             atom 43 y 3.65718537135255
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      72   -2.9871562    15.544182    15.544182 
+      73   -2.9871562    15.544182    15.549793 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 43 x ${x0}
+set atom 43 x 1.0444017084425
+  1 settings made for x
+set atom $i y ${y0}
+set atom 43 y ${y0}
+set atom 43 y 3.71522757573259
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 95
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.53735357362997
+variable        y0 equal ${yi}
+variable        y0 equal 7.25324172106051
+
+set             atom $i x ${xnew}
+set             atom 95 x ${xnew}
+set             atom 95 x 7.54873728592168
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 95 y ${ynew}
+set             atom 95 y 7.27825465526843
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      73   -2.9871562    15.544182    15.549793 
+      74   -2.9871562    15.544182    15.346422 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 15.3464223960326
+variable naccept equal ${increment}
+variable naccept equal 35
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 35
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.41438506681692
+variable        y0 equal ${yi}
+variable        y0 equal 1.98046206615037
+
+set             atom $i x ${xnew}
+set             atom 35 x ${xnew}
+set             atom 35 x 7.35008210975897
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 35 y ${ynew}
+set             atom 35 y 1.97732270143098
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      74   -2.9871562    15.346422    15.346422 
+      75   -2.9871562    15.346422    15.331607 
+Loop time of 4.60148e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 15.3316072264054
+variable naccept equal ${increment}
+variable naccept equal 36
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 56
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.15227542518474
+variable        y0 equal ${yi}
+variable        y0 equal 4.80270715111658
+
+set             atom $i x ${xnew}
+set             atom 56 x ${xnew}
+set             atom 56 x 8.21343764661648
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 56 y ${ynew}
+set             atom 56 y 4.89761152619287
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      75   -2.9871562    15.331607    15.331607 
+      76   -2.9871562    15.331607    15.513652 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 56 x ${x0}
+set atom 56 x 8.15227542518474
+  1 settings made for x
+set atom $i y ${y0}
+set atom 56 y ${y0}
+set atom 56 y 4.80270715111658
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.80754771192066
+variable        y0 equal ${yi}
+variable        y0 equal 8.45637873329219
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.87912615497104
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.41373176492747
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      76   -2.9871562    15.331607    15.513652 
+      77   -2.9871562    15.331607    15.318751 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 15.3187511886141
+variable naccept equal ${increment}
+variable naccept equal 37
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 63
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.976716128188898
+variable        y0 equal ${yi}
+variable        y0 equal 5.65420879070955
+
+set             atom $i x ${xnew}
+set             atom 63 x ${xnew}
+set             atom 63 x 0.887988367873957
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 63 y ${ynew}
+set             atom 63 y 5.60655434076982
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      77   -2.9871562    15.318751    15.318751 
+      78   -2.9871562    15.318751    15.314358 
+Loop time of 7.98702e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 15.314358370265
+variable naccept equal ${increment}
+variable naccept equal 38
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 32
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.00016524751178
+variable        y0 equal ${yi}
+variable        y0 equal 2.67780595990518
+
+set             atom $i x ${xnew}
+set             atom 32 x ${xnew}
+set             atom 32 x 6.06487773616306
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 32 y ${ynew}
+set             atom 32 y 2.61280487748483
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      78   -2.9871562    15.314358    15.314358 
+      79   -2.9871562    15.314358    19.512471 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 32 x ${x0}
+set atom 32 x 6.00016524751178
+  1 settings made for x
+set atom $i y ${y0}
+set atom 32 y ${y0}
+set atom 32 y 2.67780595990518
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.17682720501634
+variable        y0 equal ${yi}
+variable        y0 equal 1.78538526675767
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.16316989739152
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.7050789870984
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      79   -2.9871562    15.314358    19.512471 
+      80   -2.9871562    15.314358    15.784741 
+Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.17682720501634
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.78538526675767
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.31983832835275
+variable        y0 equal ${yi}
+variable        y0 equal 9.28122769105762
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.21995478390771
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y 9.22031201827853
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      80   -2.9871562    15.314358    15.784741 
+      81   -2.9871562    15.314358    15.462076 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 13 x ${x0}
+set atom 13 x 6.31983832835275
+  1 settings made for x
+set atom $i y ${y0}
+set atom 13 y ${y0}
+set atom 13 y 9.28122769105762
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 97
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.57876513162081
+variable        y0 equal ${yi}
+variable        y0 equal 7.53226324644351
+
+set             atom $i x ${xnew}
+set             atom 97 x ${xnew}
+set             atom 97 x 8.51479177632753
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 97 y ${ynew}
+set             atom 97 y 7.56551697578692
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      81   -2.9871562    15.314358    15.462076 
+      82   -2.9871562    15.314358    15.746913 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 97 x ${x0}
+set atom 97 x 8.57876513162081
+  1 settings made for x
+set atom $i y ${y0}
+set atom 97 y ${y0}
+set atom 97 y 7.53226324644351
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.17682720501634
+variable        y0 equal ${yi}
+variable        y0 equal 1.78538526675767
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.2623671062729
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.85691285512513
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      82   -2.9871562    15.314358    15.746913 
+      83   -2.9871562    15.314358    14.971079 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 14.9710790303358
+variable naccept equal ${increment}
+variable naccept equal 39
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 86
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.8703564425273
+variable        y0 equal ${yi}
+variable        y0 equal 8.50065911926326
+
+set             atom $i x ${xnew}
+set             atom 86 x ${xnew}
+set             atom 86 x 2.8279687305255
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 86 y ${ynew}
+set             atom 86 y 8.59655821241435
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      83   -2.9871562    14.971079    14.971079 
+      84   -2.9871562    14.971079     16.13744 
+Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 86 x ${x0}
+set atom 86 x 2.8703564425273
+  1 settings made for x
+set atom $i y ${y0}
+set atom 86 y ${y0}
+set atom 86 y 8.50065911926326
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 76
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.01283839343883
+variable        y0 equal ${yi}
+variable        y0 equal 6.39706618324747
+
+set             atom $i x ${xnew}
+set             atom 76 x ${xnew}
+set             atom 76 x 7.94544293283321
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 76 y ${ynew}
+set             atom 76 y 6.48969872728815
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      84   -2.9871562    14.971079     16.13744 
+      85   -2.9871562    14.971079    15.234046 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 76 x ${x0}
+set atom 76 x 8.01283839343883
+  1 settings made for x
+set atom $i y ${y0}
+set atom 76 y ${y0}
+set atom 76 y 6.39706618324747
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 81
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.5731039603405
+variable        y0 equal ${yi}
+variable        y0 equal 7.57943922605776
+
+set             atom $i x ${xnew}
+set             atom 81 x ${xnew}
+set             atom 81 x 10.6470764477902
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 81 y ${ynew}
+set             atom 81 y 7.51150325861239
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      85   -2.9871562    14.971079    15.234046 
+      86   -2.9871562    14.971079    13.371714 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 13.3717143943283
+variable naccept equal ${increment}
+variable naccept equal 40
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 76
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.01283839343883
+variable        y0 equal ${yi}
+variable        y0 equal 6.39706618324747
+
+set             atom $i x ${xnew}
+set             atom 76 x ${xnew}
+set             atom 76 x 7.951291269053
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 76 y ${ynew}
+set             atom 76 y 6.39620396629801
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      86   -2.9871562    13.371714    13.371714 
+      87   -2.9871562    13.371714    13.507722 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 76 x ${x0}
+set atom 76 x 8.01283839343883
+  1 settings made for x
+set atom $i y ${y0}
+set atom 76 y ${y0}
+set atom 76 y 6.39706618324747
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0309651374816895
+variable        y0 equal ${yi}
+variable        y0 equal 1.96139423034257
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x 0.123249912261963
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 2.03073950192994
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      87   -2.9871562    13.371714    13.507722 
+      88   -2.9871562    13.371714    13.432287 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 21 x ${x0}
+set atom 21 x 0.0309651374816895
+  1 settings made for x
+set atom $i y ${y0}
+set atom 21 y ${y0}
+set atom 21 y 1.96139423034257
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.36135188181173
+variable        y0 equal ${yi}
+variable        y0 equal 0.154561471939087
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.29896671612035
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y 0.125383043289185
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      88   -2.9871562    13.371714    13.432287 
+      89   -2.9871562    13.371714     13.37654 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 15 x ${x0}
+set atom 15 x 7.36135188181173
+  1 settings made for x
+set atom $i y ${y0}
+set atom 15 y ${y0}
+set atom 15 y 0.154561471939087
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 95
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.54873728592168
+variable        y0 equal ${yi}
+variable        y0 equal 7.27825465526843
+
+set             atom $i x ${xnew}
+set             atom 95 x ${xnew}
+set             atom 95 x 7.50556490261327
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 95 y ${ynew}
+set             atom 95 y 7.29452756967807
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      89   -2.9871562    13.371714     13.37654 
+      90   -2.9871562    13.371714    13.396668 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 95 x ${x0}
+set atom 95 x 7.54873728592168
+  1 settings made for x
+set atom $i y ${y0}
+set atom 95 y ${y0}
+set atom 95 y 7.27825465526843
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.74200649777537
+variable        y0 equal ${yi}
+variable        y0 equal 8.32967373050746
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.80932480612879
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.37676050581035
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      90   -2.9871562    13.371714    13.396668 
+      91   -2.9871562    13.371714    13.481318 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.74200649777537
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.32967373050746
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.61105832934161
+variable        y0 equal ${yi}
+variable        y0 equal 4.50049876326486
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.65689190506717
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.55132408493921
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      91   -2.9871562    13.371714    13.481318 
+      92   -2.9871562    13.371714    13.384102 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 44 x ${x0}
+set atom 44 x 1.61105832934161
+  1 settings made for x
+set atom $i y ${y0}
+set atom 44 y ${y0}
+set atom 44 y 4.50049876326486
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 56
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.15227542518474
+variable        y0 equal ${yi}
+variable        y0 equal 4.80270715111658
+
+set             atom $i x ${xnew}
+set             atom 56 x ${xnew}
+set             atom 56 x 8.09806734918453
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 56 y ${ynew}
+set             atom 56 y 4.89080031269953
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      92   -2.9871562    13.371714    13.384102 
+      93   -2.9871562    13.371714    13.451122 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 56 x ${x0}
+set atom 56 x 8.15227542518474
+  1 settings made for x
+set atom $i y ${y0}
+set atom 56 y ${y0}
+set atom 56 y 4.80270715111658
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.28054653485032
+variable        y0 equal ${yi}
+variable        y0 equal 7.33721760835909
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.35654126484605
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.29389964666628
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      93   -2.9871562    13.371714    13.451122 
+      94   -2.9871562    13.371714     13.36252 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 13.3625195456059
+variable naccept equal ${increment}
+variable naccept equal 41
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 41
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6696014960461
+variable        y0 equal ${yi}
+variable        y0 equal 3.80356412692201
+
+set             atom $i x ${xnew}
+set             atom 41 x ${xnew}
+set             atom 41 x 10.6815487464123
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 41 y ${ynew}
+set             atom 41 y 3.78250859542024
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      94   -2.9871562     13.36252     13.36252 
+      95   -2.9871562     13.36252    13.276398 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 13.2763982745436
+variable naccept equal ${increment}
+variable naccept equal 42
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.13949825524846
+variable        y0 equal ${yi}
+variable        y0 equal 3.73067882819307
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.20205316304722
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.68541614575517
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      95   -2.9871562    13.276398    13.276398 
+      96   -2.9871562    13.276398    13.304984 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 47 x ${x0}
+set atom 47 x 3.13949825524846
+  1 settings made for x
+set atom $i y ${y0}
+set atom 47 y ${y0}
+set atom 47 y 3.73067882819307
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.64088147520362
+variable        y0 equal ${yi}
+variable        y0 equal 8.33223794616755
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.66856847643195
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.24330494321879
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      96   -2.9871562    13.276398    13.304984 
+      97   -2.9871562    13.276398    13.245349 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 13.2453493073179
+variable naccept equal ${increment}
+variable naccept equal 43
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 73
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.50041027783471
+variable        y0 equal ${yi}
+variable        y0 equal 5.47833287661272
+
+set             atom $i x ${xnew}
+set             atom 73 x ${xnew}
+set             atom 73 x 6.43841152905541
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 73 y ${ynew}
+set             atom 73 y 5.38113276903826
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      97   -2.9871562    13.245349    13.245349 
+      98   -2.9871562    13.245349    13.304411 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 73 x ${x0}
+set atom 73 x 6.50041027783471
+  1 settings made for x
+set atom $i y ${y0}
+set atom 73 y ${y0}
+set atom 73 y 5.47833287661272
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 62
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.691218562522794
+variable        y0 equal ${yi}
+variable        y0 equal 6.6783623887681
+
+set             atom $i x ${xnew}
+set             atom 62 x ${xnew}
+set             atom 62 x 0.688873763481046
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 62 y ${ynew}
+set             atom 62 y 6.59225244060984
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      98   -2.9871562    13.245349    13.304411 
+      99   -2.9871562    13.245349    13.245751 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 62 x ${x0}
+set atom 62 x 0.691218562522794
+  1 settings made for x
+set atom $i y ${y0}
+set atom 62 y ${y0}
+set atom 62 y 6.6783623887681
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.86882879058009
+variable        y0 equal ${yi}
+variable        y0 equal 4.49039562100336
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.82950385132914
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.44320981854364
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+      99   -2.9871562    13.245349    13.245751 
+     100   -2.9871562    13.245349    13.872909 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 48 x ${x0}
+set atom 48 x 3.86882879058009
+  1 settings made for x
+set atom $i y ${y0}
+set atom 48 y ${y0}
+set atom 48 y 4.49039562100336
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.94675312637188
+variable        y0 equal ${yi}
+variable        y0 equal 0.975284381616443
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 7.85483614801265
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 0.935654624212115
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     100   -2.9871562    13.245349    13.872909 
+     101   -2.9871562    13.245349    13.281114 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 16 x ${x0}
+set atom 16 x 7.94675312637188
+  1 settings made for x
+set atom $i y ${y0}
+set atom 16 y ${y0}
+set atom 16 y 0.975284381616443
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.4168390993139
+variable        y0 equal ${yi}
+variable        y0 equal 6.54333410994044
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.4814478401205
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.59063038364878
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     101   -2.9871562    13.245349    13.281114 
+     102   -2.9871562    13.245349    13.293205 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 80 x ${x0}
+set atom 80 x 10.4168390993139
+  1 settings made for x
+set atom $i y ${y0}
+set atom 80 y ${y0}
+set atom 80 y 6.54333410994044
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.22011345068322
+variable        y0 equal ${yi}
+variable        y0 equal 5.54479777758318
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.12992211023675
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.55094037001329
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     102   -2.9871562    13.245349    13.293205 
+     103   -2.9871562    13.245349    13.242379 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 13.242379165856
+variable naccept equal ${increment}
+variable naccept equal 44
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.3339799050351
+variable        y0 equal ${yi}
+variable        y0 equal 0.744276662576526
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.4212697986623
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 0.796889229524463
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     103   -2.9871562    13.242379    13.242379 
+     104   -2.9871562    13.242379    13.349733 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 20 x ${x0}
+set atom 20 x 10.3339799050351
+  1 settings made for x
+set atom $i y ${y0}
+set atom 20 y ${y0}
+set atom 20 y 0.744276662576526
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 82
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.594766421714689
+variable        y0 equal ${yi}
+variable        y0 equal 8.21549125827845
+
+set             atom $i x ${xnew}
+set             atom 82 x ${xnew}
+set             atom 82 x 0.527979464927579
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 82 y ${ynew}
+set             atom 82 y 8.19242875494059
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     104   -2.9871562    13.242379    13.349733 
+     105   -2.9871562    13.242379    12.461034 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 12.4610338734105
+variable naccept equal ${increment}
+variable naccept equal 45
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.419449497847
+variable        y0 equal ${yi}
+variable        y0 equal 3.62166059775483
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.40479648271028
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.54822523160112
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     105   -2.9871562    12.461034    12.461034 
+     106   -2.9871562    12.461034    12.467421 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 57 x ${x0}
+set atom 57 x 8.419449497847
+  1 settings made for x
+set atom $i y ${y0}
+set atom 57 y ${y0}
+set atom 57 y 3.62166059775483
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 95
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.54873728592168
+variable        y0 equal ${yi}
+variable        y0 equal 7.27825465526843
+
+set             atom $i x ${xnew}
+set             atom 95 x ${xnew}
+set             atom 95 x 7.53773168165456
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 95 y ${ynew}
+set             atom 95 y 7.2000207456615
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     106   -2.9871562    12.461034    12.467421 
+     107   -2.9871562    12.461034    13.307672 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 95 x ${x0}
+set atom 95 x 7.54873728592168
+  1 settings made for x
+set atom $i y ${y0}
+set atom 95 y ${y0}
+set atom 95 y 7.27825465526843
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.44531484046842
+variable        y0 equal ${yi}
+variable        y0 equal 2.01137088916367
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.42411584058668
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 2.07943400523728
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     107   -2.9871562    12.461034    13.307672 
+     108   -2.9871562    12.461034    12.605924 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 31 x ${x0}
+set atom 31 x 5.44531484046842
+  1 settings made for x
+set atom $i y ${y0}
+set atom 31 y ${y0}
+set atom 31 y 2.01137088916367
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59410093903323
+variable        y0 equal ${yi}
+variable        y0 equal 6.46312946812144
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.64847751736422
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.37148375050059
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     108   -2.9871562    12.461034    12.605924 
+     109   -2.9871562    12.461034     12.45495 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 12.4549496864804
+variable naccept equal ${increment}
+variable naccept equal 46
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 73
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.50041027783471
+variable        y0 equal ${yi}
+variable        y0 equal 5.47833287661272
+
+set             atom $i x ${xnew}
+set             atom 73 x ${xnew}
+set             atom 73 x 6.54533034085351
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 73 y ${ynew}
+set             atom 73 y 5.50049914066988
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     109   -2.9871562     12.45495     12.45495 
+     110   -2.9871562     12.45495     12.50259 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 73 x ${x0}
+set atom 73 x 6.50041027783471
+  1 settings made for x
+set atom $i y ${y0}
+set atom 73 y ${y0}
+set atom 73 y 5.47833287661272
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 81
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6470764477902
+variable        y0 equal ${yi}
+variable        y0 equal 7.51150325861239
+
+set             atom $i x ${xnew}
+set             atom 81 x ${xnew}
+set             atom 81 x 10.6754496176892
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 81 y ${ynew}
+set             atom 81 y 7.60846348133349
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     110   -2.9871562     12.45495     12.50259 
+     111   -2.9871562     12.45495    13.081006 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 81 x ${x0}
+set atom 81 x 10.6470764477902
+  1 settings made for x
+set atom $i y ${y0}
+set atom 81 y ${y0}
+set atom 81 y 7.51150325861239
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.896000686485102
+variable        y0 equal ${yi}
+variable        y0 equal 7.60953246679568
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 0.985528353053858
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.55206439819598
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     111   -2.9871562     12.45495    13.081006 
+     112   -2.9871562     12.45495    9.9091407 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 9.90914065684474
+variable naccept equal ${increment}
+variable naccept equal 47
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 60
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1877771977445
+variable        y0 equal ${yi}
+variable        y0 equal 4.48406249636575
+
+set             atom $i x ${xnew}
+set             atom 60 x ${xnew}
+set             atom 60 x 10.2380439404508
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 60 y ${ynew}
+set             atom 60 y 4.52093809002801
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     112   -2.9871562    9.9091407    9.9091407 
+     113   -2.9871562    9.9091407    9.9497806 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 60 x ${x0}
+set atom 60 x 10.1877771977445
+  1 settings made for x
+set atom $i y ${y0}
+set atom 60 y ${y0}
+set atom 60 y 4.48406249636575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.14111500421868
+variable        y0 equal ${yi}
+variable        y0 equal 1.98998316905564
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.06427707115517
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.93772786042756
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     113   -2.9871562    9.9091407    9.9497806 
+     114   -2.9871562    9.9091407    10.064562 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.14111500421868
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.98998316905564
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 41
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6815487464123
+variable        y0 equal ${yi}
+variable        y0 equal 3.78250859542024
+
+set             atom $i x ${xnew}
+set             atom 41 x ${xnew}
+set             atom 41 x 10.6216757496052
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 41 y ${ynew}
+set             atom 41 y 3.83365273041856
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     114   -2.9871562    9.9091407    10.064562 
+     115   -2.9871562    9.9091407    10.360792 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 41 x ${x0}
+set atom 41 x 10.6815487464123
+  1 settings made for x
+set atom $i y ${y0}
+set atom 41 y ${y0}
+set atom 41 y 3.78250859542024
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.597638221183683
+variable        y0 equal ${yi}
+variable        y0 equal 0.891803069818347
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.52676308909979
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.823071666467517
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     115   -2.9871562    9.9091407    10.360792 
+     116   -2.9871562    9.9091407    10.239801 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.597638221183683
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 0.891803069818347
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.985528353053858
+variable        y0 equal ${yi}
+variable        y0 equal 7.55206439819598
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.04383342583828
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.5002349170711
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     116   -2.9871562    9.9091407    10.239801 
+     117   -2.9871562    9.9091407    9.5402972 
+Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 9.54029724373944
+variable naccept equal ${increment}
+variable naccept equal 48
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 76
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.01283839343883
+variable        y0 equal ${yi}
+variable        y0 equal 6.39706618324747
+
+set             atom $i x ${xnew}
+set             atom 76 x ${xnew}
+set             atom 76 x 8.07909467815258
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 76 y ${ynew}
+set             atom 76 y 6.35858189598551
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     117   -2.9871562    9.5402972    9.5402972 
+     118   -2.9871562    9.5402972    9.8183664 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 76 x ${x0}
+set atom 76 x 8.01283839343883
+  1 settings made for x
+set atom $i y ${y0}
+set atom 76 y ${y0}
+set atom 76 y 6.39706618324747
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 79
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.71175088165876
+variable        y0 equal ${yi}
+variable        y0 equal 5.71374509279924
+
+set             atom $i x ${xnew}
+set             atom 79 x ${xnew}
+set             atom 79 x 9.79798826454756
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 79 y ${ynew}
+set             atom 79 y 5.67971620505053
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     118   -2.9871562    9.5402972    9.8183664 
+     119   -2.9871562    9.5402972    9.8492529 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 79 x ${x0}
+set atom 79 x 9.71175088165876
+  1 settings made for x
+set atom $i y ${y0}
+set atom 79 y ${y0}
+set atom 79 y 5.71374509279924
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.37099469104673
+variable        y0 equal ${yi}
+variable        y0 equal 5.65502952282625
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.41478751102354
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.59315191452699
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     119   -2.9871562    9.5402972    9.8492529 
+     120   -2.9871562    9.5402972    9.4768991 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 9.4768990790871
+variable naccept equal ${increment}
+variable naccept equal 49
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 19
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.54015185116407
+variable        y0 equal ${yi}
+variable        y0 equal 0.168617224693298
+
+set             atom $i x ${xnew}
+set             atom 19 x ${xnew}
+set             atom 19 x 9.56837063311216
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 19 y ${ynew}
+set             atom 19 y 0.265781927108764
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     120   -2.9871562    9.4768991    9.4768991 
+     121   -2.9871562    9.4768991    9.6308359 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 19 x ${x0}
+set atom 19 x 9.54015185116407
+  1 settings made for x
+set atom $i y ${y0}
+set atom 19 y ${y0}
+set atom 19 y 0.168617224693298
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 27
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.35271770715275
+variable        y0 equal ${yi}
+variable        y0 equal 1.94840015552109
+
+set             atom $i x ${xnew}
+set             atom 27 x ${xnew}
+set             atom 27 x 3.27988629102269
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 27 y ${ynew}
+set             atom 27 y 1.9303872742421
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     121   -2.9871562    9.4768991    9.6308359 
+     122   -2.9871562    9.4768991    9.3889772 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 9.38897721078508
+variable naccept equal ${increment}
+variable naccept equal 50
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 23
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.22457233985119
+variable        y0 equal ${yi}
+variable        y0 equal 1.83873361728257
+
+set             atom $i x ${xnew}
+set             atom 23 x ${xnew}
+set             atom 23 x 1.15621249993496
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 23 y ${ynew}
+set             atom 23 y 1.78515173575944
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     122   -2.9871562    9.3889772    9.3889772 
+     123   -2.9871562    9.3889772    9.3524938 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 9.35249384206181
+variable naccept equal ${increment}
+variable naccept equal 51
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.46731475670548
+variable        y0 equal ${yi}
+variable        y0 equal 5.64477279131609
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.37933925469132
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.58286277001101
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     123   -2.9871562    9.3524938    9.3524938 
+     124   -2.9871562    9.3524938    9.3251733 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 9.32517327292235
+variable naccept equal ${increment}
+variable naccept equal 52
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.87912615497104
+variable        y0 equal ${yi}
+variable        y0 equal 8.41373176492747
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.83310471732608
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.3484317771345
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     124   -2.9871562    9.3251733    9.3251733 
+     125   -2.9871562    9.3251733    9.3137238 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 9.31372376133017
+variable naccept equal ${increment}
+variable naccept equal 53
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 37
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.51145575204317
+variable        y0 equal ${yi}
+variable        y0 equal 1.77417989156312
+
+set             atom $i x ${xnew}
+set             atom 37 x ${xnew}
+set             atom 37 x 8.49052609363024
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 37 y ${ynew}
+set             atom 37 y 1.73099848411149
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     125   -2.9871562    9.3137238    9.3137238 
+     126   -2.9871562    9.3137238    9.3387396 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 37 x ${x0}
+set atom 37 x 8.51145575204317
+  1 settings made for x
+set atom $i y ${y0}
+set atom 37 y ${y0}
+set atom 37 y 1.77417989156312
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 37
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.51145575204317
+variable        y0 equal ${yi}
+variable        y0 equal 1.77417989156312
+
+set             atom $i x ${xnew}
+set             atom 37 x ${xnew}
+set             atom 37 x 8.47753489175264
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 37 y ${ynew}
+set             atom 37 y 1.75162885568208
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     126   -2.9871562    9.3137238    9.3387396 
+     127   -2.9871562    9.3137238    9.3215941 
+Loop time of 6.10352e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 37 x ${x0}
+set atom 37 x 8.51145575204317
+  1 settings made for x
+set atom $i y ${y0}
+set atom 37 y ${y0}
+set atom 37 y 1.77417989156312
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 41
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6815487464123
+variable        y0 equal ${yi}
+variable        y0 equal 3.78250859542024
+
+set             atom $i x ${xnew}
+set             atom 41 x ${xnew}
+set             atom 41 x 10.6481216033154
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 41 y ${ynew}
+set             atom 41 y 3.81310667557847
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     127   -2.9871562    9.3137238    9.3215941 
+     128   -2.9871562    9.3137238    9.5050169 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 41 x ${x0}
+set atom 41 x 10.6815487464123
+  1 settings made for x
+set atom $i y ${y0}
+set atom 41 y ${y0}
+set atom 41 y 3.78250859542024
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 100
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.2401395205518
+variable        y0 equal ${yi}
+variable        y0 equal 8.23530813373622
+
+set             atom $i x ${xnew}
+set             atom 100 x ${xnew}
+set             atom 100 x 10.2719170216581
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 100 y ${ynew}
+set             atom 100 y 8.16867905773219
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     128   -2.9871562    9.3137238    9.5050169 
+     129   -2.9871562    9.3137238    10.073652 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 100 x ${x0}
+set atom 100 x 10.2401395205518
+  1 settings made for x
+set atom $i y ${y0}
+set atom 100 y ${y0}
+set atom 100 y 8.23530813373622
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 19
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.54015185116407
+variable        y0 equal ${yi}
+variable        y0 equal 0.168617224693298
+
+set             atom $i x ${xnew}
+set             atom 19 x ${xnew}
+set             atom 19 x 9.46655616043684
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 19 y ${ynew}
+set             atom 19 y 0.227990245819091
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     129   -2.9871562    9.3137238    10.073652 
+     130   -2.9871562    9.3137238    9.4593093 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 19 x ${x0}
+set atom 19 x 9.54015185116407
+  1 settings made for x
+set atom $i y ${y0}
+set atom 19 y ${y0}
+set atom 19 y 0.168617224693298
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.597638221183683
+variable        y0 equal ${yi}
+variable        y0 equal 0.891803069818347
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.606322498718168
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.941124983537524
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     130   -2.9871562    9.3137238    9.4593093 
+     131   -2.9871562    9.3137238     9.251533 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 9.2515329646073
+variable naccept equal ${increment}
+variable naccept equal 54
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.71409282008296
+variable        y0 equal ${yi}
+variable        y0 equal 2.80584219666818
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.64134437361842
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.87343476983407
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     131   -2.9871562     9.251533     9.251533 
+     132   -2.9871562     9.251533    9.3419648 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.71409282008296
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.80584219666818
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.4168390993139
+variable        y0 equal ${yi}
+variable        y0 equal 6.54333410994044
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.5049234632513
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.4448203875207
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     132   -2.9871562     9.251533    9.3419648 
+     133   -2.9871562     9.251533     9.271343 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 80 x ${x0}
+set atom 80 x 10.4168390993139
+  1 settings made for x
+set atom $i y ${y0}
+set atom 80 y ${y0}
+set atom 80 y 6.54333410994044
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.066135311126709
+variable        y0 equal ${yi}
+variable        y0 equal 0.139699840545654
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x 0.0268441557884216
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 0.0427583456039429
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     133   -2.9871562     9.251533     9.271343 
+     134   -2.9871562     9.251533    8.6541619 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 8.65416194569174
+variable naccept equal ${increment}
+variable naccept equal 55
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.05527156868621
+variable        y0 equal ${yi}
+variable        y0 equal 4.53311400765344
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 7.06535048762008
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.46345469111368
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     134   -2.9871562    8.6541619    8.6541619 
+     135   -2.9871562    8.6541619    8.7218577 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.05527156868621
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.53311400765344
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 81
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6470764477902
+variable        y0 equal ${yi}
+variable        y0 equal 7.51150325861239
+
+set             atom $i x ${xnew}
+set             atom 81 x ${xnew}
+set             atom 81 x 10.641802700346
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 81 y ${ynew}
+set             atom 81 y 7.50461242523455
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     135   -2.9871562    8.6541619    8.7218577 
+     136   -2.9871562    8.6541619    8.6617212 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 81 x ${x0}
+set atom 81 x 10.6470764477902
+  1 settings made for x
+set atom $i y ${y0}
+set atom 81 y ${y0}
+set atom 81 y 7.51150325861239
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.13949825524846
+variable        y0 equal ${yi}
+variable        y0 equal 3.73067882819307
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.10655145406285
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.63133331103456
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     136   -2.9871562    8.6541619    8.6617212 
+     137   -2.9871562    8.6541619    10.001498 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 47 x ${x0}
+set atom 47 x 3.13949825524846
+  1 settings made for x
+set atom $i y ${y0}
+set atom 47 y ${y0}
+set atom 47 y 3.73067882819307
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.08713871517822
+variable        y0 equal ${yi}
+variable        y0 equal 2.7411466714988
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 7.0394436744754
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.83307024213174
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     137   -2.9871562    8.6541619    10.001498 
+     138   -2.9871562    8.6541619    8.2886706 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 8.28867060874022
+variable naccept equal ${increment}
+variable naccept equal 56
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.36135188181173
+variable        y0 equal ${yi}
+variable        y0 equal 0.154561471939087
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.44501340229284
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y 0.0728780150413514
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     138   -2.9871562    8.2886706    8.2886706 
+     139   -2.9871562    8.2886706     8.278468 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 8.27846801230653
+variable naccept equal ${increment}
+variable naccept equal 57
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 86
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.8703564425273
+variable        y0 equal ${yi}
+variable        y0 equal 8.50065911926326
+
+set             atom $i x ${xnew}
+set             atom 86 x ${xnew}
+set             atom 86 x 2.94478988845778
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 86 y ${ynew}
+set             atom 86 y 8.48998140014705
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     139   -2.9871562     8.278468     8.278468 
+     140   -2.9871562     8.278468    8.7749947 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 86 x ${x0}
+set atom 86 x 2.8703564425273
+  1 settings made for x
+set atom $i y ${y0}
+set atom 86 y ${y0}
+set atom 86 y 8.50065911926326
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 42
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.389929051795865
+variable        y0 equal ${yi}
+variable        y0 equal 4.66520722264215
+
+set             atom $i x ${xnew}
+set             atom 42 x ${xnew}
+set             atom 42 x 0.316682513156797
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 42 y ${ynew}
+set             atom 42 y 4.62680411690637
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     140   -2.9871562     8.278468    8.7749947 
+     141   -2.9871562     8.278468    8.3937123 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 42 x ${x0}
+set atom 42 x 0.389929051795865
+  1 settings made for x
+set atom $i y ${y0}
+set atom 42 y ${y0}
+set atom 42 y 4.66520722264215
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 81
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6470764477902
+variable        y0 equal ${yi}
+variable        y0 equal 7.51150325861239
+
+set             atom $i x ${xnew}
+set             atom 81 x ${xnew}
+set             atom 81 x 10.6813830812626
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 81 y ${ynew}
+set             atom 81 y 7.44148362007403
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     141   -2.9871562     8.278468    8.3937123 
+     142   -2.9871562     8.278468    7.9824733 
+Loop time of 4.50611e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 7.98247329251231
+variable naccept equal ${increment}
+variable naccept equal 58
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.41063080866109
+variable        y0 equal ${yi}
+variable        y0 equal 3.65039785666597
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.38310707647573
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.65719100995195
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     142   -2.9871562    7.9824733    7.9824733 
+     143   -2.9871562    7.9824733    7.9971831 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 55 x ${x0}
+set atom 55 x 7.41063080866109
+  1 settings made for x
+set atom $i y ${y0}
+set atom 55 y ${y0}
+set atom 55 y 3.65039785666597
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.74200649777537
+variable        y0 equal ${yi}
+variable        y0 equal 8.32967373050746
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.70020593920832
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.34872350610789
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     143   -2.9871562    7.9824733    7.9971831 
+     144   -2.9871562    7.9824733    8.0803193 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.74200649777537
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.32967373050746
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.13253129164086
+variable        y0 equal ${yi}
+variable        y0 equal 3.65379038615358
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.17428057829247
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.74710704846513
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     144   -2.9871562    7.9824733    8.0803193 
+     145   -2.9871562    7.9824733     8.056944 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 45 x ${x0}
+set atom 45 x 2.13253129164086
+  1 settings made for x
+set atom $i y ${y0}
+set atom 45 y ${y0}
+set atom 45 y 3.65379038615358
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.41478751102354
+variable        y0 equal ${yi}
+variable        y0 equal 5.59315191452699
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.45365178981688
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.53061765377717
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     145   -2.9871562    7.9824733     8.056944 
+     146   -2.9871562    7.9824733    7.9762075 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 7.97620745706615
+variable naccept equal ${increment}
+variable naccept equal 59
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 12
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.8571848150014
+variable        y0 equal ${yi}
+variable        y0 equal 0.822012730348437
+
+set             atom $i x ${xnew}
+set             atom 12 x ${xnew}
+set             atom 12 x 5.84693380553714
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 12 y ${ynew}
+set             atom 12 y 0.812763066995471
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     146   -2.9871562    7.9762075    7.9762075 
+     147   -2.9871562    7.9762075     7.983808 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 12 x ${x0}
+set atom 12 x 5.8571848150014
+  1 settings made for x
+set atom $i y ${y0}
+set atom 12 y ${y0}
+set atom 12 y 0.822012730348437
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 94
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.0883078245227
+variable        y0 equal ${yi}
+variable        y0 equal 8.34910107769069
+
+set             atom $i x ${xnew}
+set             atom 94 x ${xnew}
+set             atom 94 x 7.1804837969844
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 94 y ${ynew}
+set             atom 94 y 8.27973550476131
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     147   -2.9871562    7.9762075     7.983808 
+     148   -2.9871562    7.9762075    7.9940035 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 94 x ${x0}
+set atom 94 x 7.0883078245227
+  1 settings made for x
+set atom $i y ${y0}
+set atom 94 y ${y0}
+set atom 94 y 8.34910107769069
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.31294931887704
+variable        y0 equal ${yi}
+variable        y0 equal 3.57663958830964
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.34927348612863
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.632499070598
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     148   -2.9871562    7.9762075    7.9940035 
+     149   -2.9871562    7.9762075    7.8605288 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 7.86052884369097
+variable naccept equal ${increment}
+variable naccept equal 60
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 38
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.32428281027824
+variable        y0 equal ${yi}
+variable        y0 equal 2.640500294889
+
+set             atom $i x ${xnew}
+set             atom 38 x ${xnew}
+set             atom 38 x 9.26134668309242
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 38 y ${ynew}
+set             atom 38 y 2.72465627166131
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     149   -2.9871562    7.8605288    7.8605288 
+     150   -2.9871562    7.8605288    7.6199238 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 7.61992377997629
+variable naccept equal ${increment}
+variable naccept equal 61
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.4168390993139
+variable        y0 equal ${yi}
+variable        y0 equal 6.54333410994044
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.4842599514982
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.47453133598796
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     150   -2.9871562    7.6199238    7.6199238 
+     151   -2.9871562    7.6199238    7.6124742 
+Loop time of 6.00815e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 7.61247421731637
+variable naccept equal ${increment}
+variable naccept equal 62
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 49
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.26689134915086
+variable        y0 equal ${yi}
+variable        y0 equal 3.89899247450959
+
+set             atom $i x ${xnew}
+set             atom 49 x ${xnew}
+set             atom 49 x 4.2583212502739
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 49 y ${ynew}
+set             atom 49 y 3.85637448592317
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     151   -2.9871562    7.6124742    7.6124742 
+     152   -2.9871562    7.6124742    6.7176999 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 6.71769991674919
+variable naccept equal ${increment}
+variable naccept equal 63
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 60
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1877771977445
+variable        y0 equal ${yi}
+variable        y0 equal 4.48406249636575
+
+set             atom $i x ${xnew}
+set             atom 60 x ${xnew}
+set             atom 60 x 10.1148146752378
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 60 y ${ynew}
+set             atom 60 y 4.54698911065027
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     152   -2.9871562    6.7176999    6.7176999 
+     153   -2.9871562    6.7176999    6.5885707 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 6.58857067003851
+variable naccept equal ${increment}
+variable naccept equal 64
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.10574056822807
+variable        y0 equal ${yi}
+variable        y0 equal 0.999771710145801
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 9.06512876469643
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 1.07313531230721
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     153   -2.9871562    6.5885707    6.5885707 
+     154   -2.9871562    6.5885707    6.7092425 
+Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 18 x ${x0}
+set atom 18 x 9.10574056822807
+  1 settings made for x
+set atom $i y ${y0}
+set atom 18 y ${y0}
+set atom 18 y 0.999771710145801
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.64847751736422
+variable        y0 equal ${yi}
+variable        y0 equal 6.37148375050059
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.69907911896487
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.46656938330165
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     154   -2.9871562    6.5885707    6.7092425 
+     155   -2.9871562    6.5885707     6.569668 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 6.56966796496351
+variable naccept equal ${increment}
+variable naccept equal 65
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 50
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.95269535421668
+variable        y0 equal ${yi}
+variable        y0 equal 4.50253551358148
+
+set             atom $i x ${xnew}
+set             atom 50 x ${xnew}
+set             atom 50 x 4.86371581196128
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 50 y ${ynew}
+set             atom 50 y 4.53917918557092
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     155   -2.9871562     6.569668     6.569668 
+     156   -2.9871562     6.569668    6.5832275 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 50 x ${x0}
+set atom 50 x 4.95269535421668
+  1 settings made for x
+set atom $i y ${y0}
+set atom 50 y ${y0}
+set atom 50 y 4.50253551358148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.13949825524846
+variable        y0 equal ${yi}
+variable        y0 equal 3.73067882819307
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.10165440797368
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.82401231093538
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     156   -2.9871562     6.569668    6.5832275 
+     157   -2.9871562     6.569668    6.4989235 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 6.49892351165672
+variable naccept equal ${increment}
+variable naccept equal 66
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 36
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.9432972490678
+variable        y0 equal ${yi}
+variable        y0 equal 2.61277595731118
+
+set             atom $i x ${xnew}
+set             atom 36 x ${xnew}
+set             atom 36 x 7.96994642614223
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 36 y ${ynew}
+set             atom 36 y 2.56691586943963
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     157   -2.9871562    6.4989235    6.4989235 
+     158   -2.9871562    6.4989235    6.5294712 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 36 x ${x0}
+set atom 36 x 7.9432972490678
+  1 settings made for x
+set atom $i y ${y0}
+set atom 36 y ${y0}
+set atom 36 y 2.61277595731118
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.05527156868621
+variable        y0 equal ${yi}
+variable        y0 equal 4.53311400765344
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 7.02884636202499
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.55055095309183
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     158   -2.9871562    6.4989235    6.5294712 
+     159   -2.9871562    6.4989235    6.5027062 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.05527156868621
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.53311400765344
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.01163879076348
+variable        y0 equal ${yi}
+variable        y0 equal 0.112708401679993
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 2.00558659473763
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y 0.0534018158912659
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     159   -2.9871562    6.4989235    6.5027062 
+     160   -2.9871562    6.4989235    5.7934843 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 5.7934842511674
+variable naccept equal ${increment}
+variable naccept equal 67
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.37933925469132
+variable        y0 equal ${yi}
+variable        y0 equal 5.58286277001101
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.29014420588227
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.67163884585101
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     160   -2.9871562    5.7934843    5.7934843 
+     161   -2.9871562    5.7934843    5.8148542 
+Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.37933925469132
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.58286277001101
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 7
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.20307075738469
+variable        y0 equal ${yi}
+variable        y0 equal 9.20901408899158
+
+set             atom $i x ${xnew}
+set             atom 7 x ${xnew}
+set             atom 7 x 3.24925089835683
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 7 y ${ynew}
+set             atom 7 y 9.24181336868137
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     161   -2.9871562    5.7934843    5.8148542 
+     162   -2.9871562    5.7934843     5.452196 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 5.45219604394413
+variable naccept equal ${increment}
+variable naccept equal 68
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.00558659473763
+variable        y0 equal ${yi}
+variable        y0 equal 0.0534018158912659
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 1.93844582477913
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y -0.0216168642044067
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     162   -2.9871562     5.452196     5.452196 
+     163   -2.9871562     5.452196    5.1864344 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 5.18643436112833
+variable naccept equal ${increment}
+variable naccept equal 69
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.37933925469132
+variable        y0 equal ${yi}
+variable        y0 equal 5.58286277001101
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.36483755190583
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.56349997465807
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     163   -2.9871562    5.1864344    5.1864344 
+     164   -2.9871562    5.1864344    5.1880759 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.37933925469132
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.58286277001101
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 26
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.76917257507277
+variable        y0 equal ${yi}
+variable        y0 equal 2.98904126855233
+
+set             atom $i x ${xnew}
+set             atom 26 x ${xnew}
+set             atom 26 x 2.84191374977065
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 26 y ${ynew}
+set             atom 26 y 3.08111939402917
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     164   -2.9871562    5.1864344    5.1880759 
+     165   -2.9871562    5.1864344    5.7067693 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 26 x ${x0}
+set atom 26 x 2.76917257507277
+  1 settings made for x
+set atom $i y ${y0}
+set atom 26 y ${y0}
+set atom 26 y 2.98904126855233
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 27
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.27988629102269
+variable        y0 equal ${yi}
+variable        y0 equal 1.9303872742421
+
+set             atom $i x ${xnew}
+set             atom 27 x ${xnew}
+set             atom 27 x 3.31377582311192
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 27 y ${ynew}
+set             atom 27 y 1.92442210099762
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     165   -2.9871562    5.1864344    5.7067693 
+     166   -2.9871562    5.1864344    5.2468263 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 27 x ${x0}
+set atom 27 x 3.27988629102269
+  1 settings made for x
+set atom $i y ${y0}
+set atom 27 y ${y0}
+set atom 27 y 1.9303872742421
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.2623671062729
+variable        y0 equal ${yi}
+variable        y0 equal 1.85691285512513
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.20794894774171
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.76940361640519
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     166   -2.9871562    5.1864344    5.2468263 
+     167   -2.9871562    5.1864344    5.3657686 
+Loop time of 4.50611e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.2623671062729
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.85691285512513
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.57122090061141
+variable        y0 equal ${yi}
+variable        y0 equal 4.51594142073557
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.64665825565291
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.58244173878595
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     167   -2.9871562    5.1864344    5.3657686 
+     168   -2.9871562    5.1864344    5.1191323 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 5.11913227430673
+variable naccept equal ${increment}
+variable naccept equal 70
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.66856847643195
+variable        y0 equal ${yi}
+variable        y0 equal 8.24330494321879
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.65372233032523
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.34208905614909
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     168   -2.9871562    5.1191323    5.1191323 
+     169   -2.9871562    5.1191323    5.1347954 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 90 x ${x0}
+set atom 90 x 4.66856847643195
+  1 settings made for x
+set atom $i y ${y0}
+set atom 90 y ${y0}
+set atom 90 y 8.24330494321879
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.74866355538149
+variable        y0 equal ${yi}
+variable        y0 equal 0.808928366411059
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.7506712782361
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 0.888538749921649
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     169   -2.9871562    5.1191323    5.1347954 
+     170   -2.9871562    5.1191323    4.9851256 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 4.98512562316554
+variable naccept equal ${increment}
+variable naccept equal 71
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 75
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.43141517479192
+variable        y0 equal ${yi}
+variable        y0 equal 5.56478210632998
+
+set             atom $i x ${xnew}
+set             atom 75 x ${xnew}
+set             atom 75 x 7.46527759868871
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 75 y ${ynew}
+set             atom 75 y 5.66414418165881
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     170   -2.9871562    4.9851256    4.9851256 
+     171   -2.9871562    4.9851256    5.0353119 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 75 x ${x0}
+set atom 75 x 7.43141517479192
+  1 settings made for x
+set atom $i y ${y0}
+set atom 75 y ${y0}
+set atom 75 y 5.56478210632998
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 32
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.00016524751178
+variable        y0 equal ${yi}
+variable        y0 equal 2.67780595990518
+
+set             atom $i x ${xnew}
+set             atom 32 x ${xnew}
+set             atom 32 x 6.01838682849399
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 32 y ${ynew}
+set             atom 32 y 2.77655899497369
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     171   -2.9871562    4.9851256    5.0353119 
+     172   -2.9871562    4.9851256    4.1697129 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 4.16971292478467
+variable naccept equal ${increment}
+variable naccept equal 72
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.94675312637188
+variable        y0 equal ${yi}
+variable        y0 equal 0.975284381616443
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 7.87170137761929
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 0.90712811540398
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     172   -2.9871562    4.1697129    4.1697129 
+     173   -2.9871562    4.1697129    4.1941642 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 16 x ${x0}
+set atom 16 x 7.94675312637188
+  1 settings made for x
+set atom $i y ${y0}
+set atom 16 y ${y0}
+set atom 16 y 0.975284381616443
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1794071558973
+variable        y0 equal ${yi}
+variable        y0 equal 2.92664810391763
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.2262481812498
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.83032892915109
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     173   -2.9871562    4.1697129    4.1941642 
+     174   -2.9871562    4.1697129    3.7792308 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 3.77923081220118
+variable naccept equal ${increment}
+variable naccept equal 73
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.09856477419243
+variable        y0 equal ${yi}
+variable        y0 equal 7.42882086363101
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.1927025858532
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.48242353525424
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     174   -2.9871562    3.7792308    3.7792308 
+     175   -2.9871562    3.7792308    3.8188701 
+Loop time of 5.38826e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.09856477419243
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.42882086363101
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 7
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.24925089835683
+variable        y0 equal ${yi}
+variable        y0 equal 9.24181336868137
+
+set             atom $i x ${xnew}
+set             atom 7 x ${xnew}
+set             atom 7 x 3.24398106097737
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 7 y ${ynew}
+set             atom 7 y 9.15158544290393
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     175   -2.9871562    3.7792308    3.8188701 
+     176   -2.9871562    3.7792308    4.5887558 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 7 x ${x0}
+set atom 7 x 3.24925089835683
+  1 settings made for x
+set atom $i y ${y0}
+set atom 7 y ${y0}
+set atom 7 y 9.24181336868137
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.86882879058009
+variable        y0 equal ${yi}
+variable        y0 equal 4.49039562100336
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.91969899455195
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.4667519962208
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     176   -2.9871562    3.7792308    4.5887558 
+     177   -2.9871562    3.7792308      5.27178 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 48 x ${x0}
+set atom 48 x 3.86882879058009
+  1 settings made for x
+set atom $i y ${y0}
+set atom 48 y ${y0}
+set atom 48 y 4.49039562100336
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 82
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.527979464927579
+variable        y0 equal ${yi}
+variable        y0 equal 8.19242875494059
+
+set             atom $i x ${xnew}
+set             atom 82 x ${xnew}
+set             atom 82 x 0.552063866058255
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 82 y ${ynew}
+set             atom 82 y 8.20312803901728
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     177   -2.9871562    3.7792308      5.27178 
+     178   -2.9871562    3.7792308    3.7809116 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 82 x ${x0}
+set atom 82 x 0.527979464927579
+  1 settings made for x
+set atom $i y ${y0}
+set atom 82 y ${y0}
+set atom 82 y 8.19242875494059
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 8
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.64581083575373
+variable        y0 equal ${yi}
+variable        y0 equal 1.1294338900927
+
+set             atom $i x ${xnew}
+set             atom 8 x ${xnew}
+set             atom 8 x 3.55103544512873
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 8 y ${ynew}
+set             atom 8 y 1.2142546017054
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     178   -2.9871562    3.7792308    3.7809116 
+     179   -2.9871562    3.7792308    5.3788278 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 8 x ${x0}
+set atom 8 x 3.64581083575373
+  1 settings made for x
+set atom $i y ${y0}
+set atom 8 y ${y0}
+set atom 8 y 1.1294338900927
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.83310471732608
+variable        y0 equal ${yi}
+variable        y0 equal 8.3484317771345
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.87745822627536
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.36964200653132
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     179   -2.9871562    3.7792308    5.3788278 
+     180   -2.9871562    3.7792308    3.7801645 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 92 x ${x0}
+set atom 92 x 5.83310471732608
+  1 settings made for x
+set atom $i y ${y0}
+set atom 92 y ${y0}
+set atom 92 y 8.3484317771345
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.41063080866109
+variable        y0 equal ${yi}
+variable        y0 equal 3.65039785666597
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.37125514585744
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.68198650641573
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     180   -2.9871562    3.7792308    3.7801645 
+     181   -2.9871562    3.7792308    3.7977142 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 55 x ${x0}
+set atom 55 x 7.41063080866109
+  1 settings made for x
+set atom $i y ${y0}
+set atom 55 y ${y0}
+set atom 55 y 3.65039785666597
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.83310471732608
+variable        y0 equal ${yi}
+variable        y0 equal 8.3484317771345
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.93238850791446
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.38342529453334
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     181   -2.9871562    3.7792308    3.7977142 
+     182   -2.9871562    3.7792308    3.7890571 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 92 x ${x0}
+set atom 92 x 5.83310471732608
+  1 settings made for x
+set atom $i y ${y0}
+set atom 92 y ${y0}
+set atom 92 y 8.3484317771345
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 63
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.887988367873957
+variable        y0 equal ${yi}
+variable        y0 equal 5.60655434076982
+
+set             atom $i x ${xnew}
+set             atom 63 x ${xnew}
+set             atom 63 x 0.987933591205408
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 63 y ${ynew}
+set             atom 63 y 5.5415678853293
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     182   -2.9871562    3.7792308    3.7890571 
+     183   -2.9871562    3.7792308    3.7757095 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 3.77570947809346
+variable naccept equal ${increment}
+variable naccept equal 74
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 49
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.2583212502739
+variable        y0 equal ${yi}
+variable        y0 equal 3.85637448592317
+
+set             atom $i x ${xnew}
+set             atom 49 x ${xnew}
+set             atom 49 x 4.3481036551735
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 49 y ${ynew}
+set             atom 49 y 3.91077196164262
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     183   -2.9871562    3.7757095    3.7757095 
+     184   -2.9871562    3.7757095    3.7932452 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 49 x ${x0}
+set atom 49 x 4.2583212502739
+  1 settings made for x
+set atom $i y ${y0}
+set atom 49 y ${y0}
+set atom 49 y 3.85637448592317
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 26
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.76917257507277
+variable        y0 equal ${yi}
+variable        y0 equal 2.98904126855233
+
+set             atom $i x ${xnew}
+set             atom 26 x ${xnew}
+set             atom 26 x 2.69538001020384
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 26 y ${ynew}
+set             atom 26 y 3.07247213097909
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     184   -2.9871562    3.7757095    3.7932452 
+     185   -2.9871562    3.7757095     4.175703 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 26 x ${x0}
+set atom 26 x 2.76917257507277
+  1 settings made for x
+set atom $i y ${y0}
+set atom 26 y ${y0}
+set atom 26 y 2.98904126855233
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.05597597320072
+variable        y0 equal ${yi}
+variable        y0 equal 6.6133103562974
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 6.10456911284916
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.61410201326838
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     185   -2.9871562    3.7757095     4.175703 
+     186   -2.9871562    3.7757095    3.8176047 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 72 x ${x0}
+set atom 72 x 6.05597597320072
+  1 settings made for x
+set atom $i y ${y0}
+set atom 72 y ${y0}
+set atom 72 y 6.6133103562974
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.66856847643195
+variable        y0 equal ${yi}
+variable        y0 equal 8.24330494321879
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.67509861826239
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.25264309562739
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     186   -2.9871562    3.7757095    3.8176047 
+     187   -2.9871562    3.7757095     3.768138 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 3.76813795996042
+variable naccept equal ${increment}
+variable naccept equal 75
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 84
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.69912415623446
+variable        y0 equal ${yi}
+variable        y0 equal 8.28526519455012
+
+set             atom $i x ${xnew}
+set             atom 84 x ${xnew}
+set             atom 84 x 1.74543251871844
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 84 y ${ynew}
+set             atom 84 y 8.37158784784373
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     187   -2.9871562     3.768138     3.768138 
+     188   -2.9871562     3.768138    3.7741958 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 84 x ${x0}
+set atom 84 x 1.69912415623446
+  1 settings made for x
+set atom $i y ${y0}
+set atom 84 y ${y0}
+set atom 84 y 8.28526519455012
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.71409282008296
+variable        y0 equal ${yi}
+variable        y0 equal 2.80584219666818
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.80891637126094
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.7453488108764
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     188   -2.9871562     3.768138    3.7741958 
+     189   -2.9871562     3.768138    3.7603115 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 3.76031149772695
+variable naccept equal ${increment}
+variable naccept equal 76
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.10165440797368
+variable        y0 equal ${yi}
+variable        y0 equal 3.82401231093538
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.18344276904622
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.92122191949022
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     189   -2.9871562    3.7603115    3.7603115 
+     190   -2.9871562    3.7603115    3.8375372 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 47 x ${x0}
+set atom 47 x 3.10165440797368
+  1 settings made for x
+set atom $i y ${y0}
+set atom 47 y ${y0}
+set atom 47 y 3.82401231093538
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 50
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.95269535421668
+variable        y0 equal ${yi}
+variable        y0 equal 4.50253551358148
+
+set             atom $i x ${xnew}
+set             atom 50 x ${xnew}
+set             atom 50 x 4.94805367826758
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 50 y ${ynew}
+set             atom 50 y 4.47276767844125
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     190   -2.9871562    3.7603115    3.8375372 
+     191   -2.9871562    3.7603115    3.7953799 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 50 x ${x0}
+set atom 50 x 4.95269535421668
+  1 settings made for x
+set atom $i y ${y0}
+set atom 50 y ${y0}
+set atom 50 y 4.50253551358148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 62
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.691218562522794
+variable        y0 equal ${yi}
+variable        y0 equal 6.6783623887681
+
+set             atom $i x ${xnew}
+set             atom 62 x ${xnew}
+set             atom 62 x 0.612050385871793
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 62 y ${ynew}
+set             atom 62 y 6.61551776663294
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     191   -2.9871562    3.7603115    3.7953799 
+     192   -2.9871562    3.7603115    3.7675347 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 62 x ${x0}
+set atom 62 x 0.691218562522794
+  1 settings made for x
+set atom $i y ${y0}
+set atom 62 y ${y0}
+set atom 62 y 6.6783623887681
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.85535389462158
+variable        y0 equal ${yi}
+variable        y0 equal 1.0833966691378
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.89841231384918
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 1.04761657308372
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     192   -2.9871562    3.7603115    3.7675347 
+     193   -2.9871562    3.7603115    3.7559041 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 3.7559040988599
+variable naccept equal ${increment}
+variable naccept equal 77
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 10
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.86377175688087
+variable        y0 equal ${yi}
+variable        y0 equal 0.979123874414294
+
+set             atom $i x ${xnew}
+set             atom 10 x ${xnew}
+set             atom 10 x 4.95399692892372
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 10 y ${ynew}
+set             atom 10 y 0.887990887868731
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     193   -2.9871562    3.7559041    3.7559041 
+     194   -2.9871562    3.7559041     3.845622 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 10 x ${x0}
+set atom 10 x 4.86377175688087
+  1 settings made for x
+set atom $i y ${y0}
+set atom 10 y ${y0}
+set atom 10 y 0.979123874414294
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 19
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.54015185116407
+variable        y0 equal ${yi}
+variable        y0 equal 0.168617224693298
+
+set             atom $i x ${xnew}
+set             atom 19 x ${xnew}
+set             atom 19 x 9.46731304405805
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 19 y ${ynew}
+set             atom 19 y 0.148456740379333
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     194   -2.9871562    3.7559041     3.845622 
+     195   -2.9871562    3.7559041    3.7737988 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 19 x ${x0}
+set atom 19 x 9.54015185116407
+  1 settings made for x
+set atom $i y ${y0}
+set atom 19 y ${y0}
+set atom 19 y 0.168617224693298
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 97
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.57876513162081
+variable        y0 equal ${yi}
+variable        y0 equal 7.53226324644351
+
+set             atom $i x ${xnew}
+set             atom 97 x ${xnew}
+set             atom 97 x 8.52982973018114
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 97 y ${ynew}
+set             atom 97 y 7.44936907615924
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     195   -2.9871562    3.7559041    3.7737988 
+     196   -2.9871562    3.7559041    3.6169063 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 3.61690627832558
+variable naccept equal ${increment}
+variable naccept equal 78
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 10
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.86377175688087
+variable        y0 equal ${yi}
+variable        y0 equal 0.979123874414294
+
+set             atom $i x ${xnew}
+set             atom 10 x ${xnew}
+set             atom 10 x 4.88065268635093
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 10 y ${ynew}
+set             atom 10 y 0.912736781347125
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     196   -2.9871562    3.6169063    3.6169063 
+     197   -2.9871562    3.6169063    3.6314758 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 10 x ${x0}
+set atom 10 x 4.86377175688087
+  1 settings made for x
+set atom $i y ${y0}
+set atom 10 y ${y0}
+set atom 10 y 0.979123874414294
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.93844582477913
+variable        y0 equal ${yi}
+variable        y0 equal -0.0216168642044067
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 1.85615726152763
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y 0.0231895804405213
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     197   -2.9871562    3.6169063    3.6314758 
+     198   -2.9871562    3.6169063    3.7165732 
+Loop time of 0.00014019 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 5 x ${x0}
+set atom 5 x 1.93844582477913
+  1 settings made for x
+set atom $i y ${y0}
+set atom 5 y ${y0}
+set atom 5 y -0.0216168642044067
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.83154005010558
+variable        y0 equal ${yi}
+variable        y0 equal 1.03624491285118
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.82547415693236
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 0.980638142335738
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     198   -2.9871562    3.6169063    3.7165732 
+     199   -2.9871562    3.6169063    3.5411592 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 3.54115915625719
+variable naccept equal ${increment}
+variable naccept equal 79
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.39634142318632
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y 0.0637464880943273
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     199   -2.9871562    3.5411592    3.5411592 
+     200   -2.9871562    3.5411592    3.6544582 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.2262481812498
+variable        y0 equal ${yi}
+variable        y0 equal 2.83032892915109
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.1570454005262
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.91342599364618
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     200   -2.9871562    3.5411592    3.6544582 
+     201   -2.9871562    3.5411592    3.9741903 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.2262481812498
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.83032892915109
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.3339799050351
+variable        y0 equal ${yi}
+variable        y0 equal 0.744276662576526
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.3637065056821
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 0.730309530008167
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     201   -2.9871562    3.5411592    3.9741903 
+     202   -2.9871562    3.5411592     3.707005 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 20 x ${x0}
+set atom 20 x 10.3339799050351
+  1 settings made for x
+set atom $i y ${y0}
+set atom 20 y ${y0}
+set atom 20 y 0.744276662576526
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 49
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.2583212502739
+variable        y0 equal ${yi}
+variable        y0 equal 3.85637448592317
+
+set             atom $i x ${xnew}
+set             atom 49 x ${xnew}
+set             atom 49 x 4.25381002505036
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 49 y ${ynew}
+set             atom 49 y 3.80343433184755
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     202   -2.9871562    3.5411592     3.707005 
+     203   -2.9871562    3.5411592    2.9052494 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 2.90524944701765
+variable naccept equal ${increment}
+variable naccept equal 80
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.37933925469132
+variable        y0 equal ${yi}
+variable        y0 equal 5.58286277001101
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.47800179798813
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.50670849030215
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     203   -2.9871562    2.9052494    2.9052494 
+     204   -2.9871562    2.9052494    2.9188227 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.37933925469132
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.58286277001101
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 100
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.2401395205518
+variable        y0 equal ${yi}
+variable        y0 equal 8.23530813373622
+
+set             atom $i x ${xnew}
+set             atom 100 x ${xnew}
+set             atom 100 x 10.1610254410764
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 100 y ${ynew}
+set             atom 100 y 8.2609955064207
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     204   -2.9871562    2.9052494    2.9188227 
+     205   -2.9871562    2.9052494    2.8749211 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 2.87492109204518
+variable naccept equal ${increment}
+variable naccept equal 81
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 100
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1610254410764
+variable        y0 equal ${yi}
+variable        y0 equal 8.2609955064207
+
+set             atom $i x ${xnew}
+set             atom 100 x ${xnew}
+set             atom 100 x 10.0673277143499
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 100 y ${ynew}
+set             atom 100 y 8.30344848550853
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     205   -2.9871562    2.8749211    2.8749211 
+     206   -2.9871562    2.8749211    2.8857639 
+Loop time of 7.9155e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 100 x ${x0}
+set atom 100 x 10.1610254410764
+  1 settings made for x
+set atom $i y ${y0}
+set atom 100 y ${y0}
+set atom 100 y 8.2609955064207
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.04383342583828
+variable        y0 equal ${yi}
+variable        y0 equal 7.5002349170711
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.14124523719006
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.51275172558093
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     206   -2.9871562    2.8749211    2.8857639 
+     207   -2.9871562    2.8749211    2.7766242 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 2.77662424471656
+variable naccept equal ${increment}
+variable naccept equal 82
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.606322498718168
+variable        y0 equal ${yi}
+variable        y0 equal 0.941124983537524
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.528223629394438
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 1.0003870446566
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     207   -2.9871562    2.7766242    2.7766242 
+     208   -2.9871562    2.7766242     2.770858 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 2.77085795989542
+variable naccept equal ${increment}
+variable naccept equal 83
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.67596542118666
+variable        y0 equal ${yi}
+variable        y0 equal 3.54897683425081
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.74365770100233
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.49169098897111
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     208   -2.9871562     2.770858     2.770858 
+     209   -2.9871562     2.770858     3.050436 
+Loop time of 4.79221e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 59 x ${x0}
+set atom 59 x 9.67596542118666
+  1 settings made for x
+set atom $i y ${y0}
+set atom 59 y ${y0}
+set atom 59 y 3.54897683425081
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 24
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.65866128086825
+variable        y0 equal ${yi}
+variable        y0 equal 2.87525559636453
+
+set             atom $i x ${xnew}
+set             atom 24 x ${xnew}
+set             atom 24 x 1.73341091751834
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 24 y ${ynew}
+set             atom 24 y 2.95159634324411
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     209   -2.9871562     2.770858     3.050436 
+     210   -2.9871562     2.770858    3.0698468 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 24 x ${x0}
+set atom 24 x 1.65866128086825
+  1 settings made for x
+set atom $i y ${y0}
+set atom 24 y ${y0}
+set atom 24 y 2.87525559636453
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 67
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.35001522063771
+variable        y0 equal ${yi}
+variable        y0 equal 5.45133864824968
+
+set             atom $i x ${xnew}
+set             atom 67 x ${xnew}
+set             atom 67 x 3.28540751695195
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 67 y ${ynew}
+set             atom 67 y 5.54694495146471
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     210   -2.9871562     2.770858    3.0698468 
+     211   -2.9871562     2.770858    2.7667548 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 2.76675484509176
+variable naccept equal ${increment}
+variable naccept equal 84
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.34927348612863
+variable        y0 equal ${yi}
+variable        y0 equal 3.632499070598
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.36620524643976
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.64652795357835
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     211   -2.9871562    2.7667548    2.7667548 
+     212   -2.9871562    2.7667548    2.7140194 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 2.71401940348558
+variable naccept equal ${increment}
+variable naccept equal 85
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 43
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.0444017084425
+variable        y0 equal ${yi}
+variable        y0 equal 3.71522757573259
+
+set             atom $i x ${xnew}
+set             atom 43 x ${xnew}
+set             atom 43 x 0.976319959956935
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 43 y ${ynew}
+set             atom 43 y 3.80048367543352
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     212   -2.9871562    2.7140194    2.7140194 
+     213   -2.9871562    2.7140194    2.7264465 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 43 x ${x0}
+set atom 43 x 1.0444017084425
+  1 settings made for x
+set atom $i y ${y0}
+set atom 43 y ${y0}
+set atom 43 y 3.71522757573259
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.4842599514982
+variable        y0 equal ${yi}
+variable        y0 equal 6.47453133598796
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.5635194186231
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.47242429987422
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     213   -2.9871562    2.7140194    2.7264465 
+     214   -2.9871562    2.7140194    2.7812203 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 80 x ${x0}
+set atom 80 x 10.4842599514982
+  1 settings made for x
+set atom $i y ${y0}
+set atom 80 y ${y0}
+set atom 80 y 6.47453133598796
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 95
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.54873728592168
+variable        y0 equal ${yi}
+variable        y0 equal 7.27825465526843
+
+set             atom $i x ${xnew}
+set             atom 95 x ${xnew}
+set             atom 95 x 7.49662653047811
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 95 y ${ynew}
+set             atom 95 y 7.37432011690402
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     214   -2.9871562    2.7140194    2.7812203 
+     215   -2.9871562    2.7140194     2.484468 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 2.48446804105358
+variable naccept equal ${increment}
+variable naccept equal 86
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 79
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.71175088165876
+variable        y0 equal ${yi}
+variable        y0 equal 5.71374509279924
+
+set             atom $i x ${xnew}
+set             atom 79 x ${xnew}
+set             atom 79 x 9.7438570785391
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 79 y ${ynew}
+set             atom 79 y 5.71434323733049
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     215   -2.9871562     2.484468     2.484468 
+     216   -2.9871562     2.484468    2.5344589 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 79 x ${x0}
+set atom 79 x 9.71175088165876
+  1 settings made for x
+set atom $i y ${y0}
+set atom 79 y ${y0}
+set atom 79 y 5.71374509279924
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 39
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.48253180264112
+variable        y0 equal ${yi}
+variable        y0 equal 1.83061694285935
+
+set             atom $i x ${xnew}
+set             atom 39 x ${xnew}
+set             atom 39 x 9.47551999567625
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 39 y ${ynew}
+set             atom 39 y 1.81556935689515
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     216   -2.9871562     2.484468    2.5344589 
+     217   -2.9871562     2.484468     2.498409 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 39 x ${x0}
+set atom 39 x 9.48253180264112
+  1 settings made for x
+set atom $i y ${y0}
+set atom 39 y ${y0}
+set atom 39 y 1.83061694285935
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 76
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.01283839343883
+variable        y0 equal ${yi}
+variable        y0 equal 6.39706618324747
+
+set             atom $i x ${xnew}
+set             atom 76 x ${xnew}
+set             atom 76 x 8.07944931386806
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 76 y ${ynew}
+set             atom 76 y 6.41556313768854
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     217   -2.9871562     2.484468     2.498409 
+     218   -2.9871562     2.484468    2.4864171 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 76 x ${x0}
+set atom 76 x 8.01283839343883
+  1 settings made for x
+set atom $i y ${y0}
+set atom 76 y ${y0}
+set atom 76 y 6.39706618324747
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 56
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.15227542518474
+variable        y0 equal ${yi}
+variable        y0 equal 4.80270715111658
+
+set             atom $i x ${xnew}
+set             atom 56 x ${xnew}
+set             atom 56 x 8.14373866914607
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 56 y ${ynew}
+set             atom 56 y 4.82686398381159
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     218   -2.9871562     2.484468    2.4864171 
+     219   -2.9871562     2.484468    2.4989194 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 56 x ${x0}
+set atom 56 x 8.15227542518474
+  1 settings made for x
+set atom $i y ${y0}
+set atom 56 y ${y0}
+set atom 56 y 4.80270715111658
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.419449497847
+variable        y0 equal ${yi}
+variable        y0 equal 3.62166059775483
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.34232114711229
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.6295725540651
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     219   -2.9871562     2.484468    2.4989194 
+     220   -2.9871562     2.484468    2.5210296 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 57 x ${x0}
+set atom 57 x 8.419449497847
+  1 settings made for x
+set atom $i y ${y0}
+set atom 57 y ${y0}
+set atom 57 y 3.62166059775483
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.4842599514982
+variable        y0 equal ${yi}
+variable        y0 equal 6.47453133598796
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.4403341177961
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.37632404104701
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     220   -2.9871562     2.484468    2.5210296 
+     221   -2.9871562     2.484468    2.5050849 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 80 x ${x0}
+set atom 80 x 10.4842599514982
+  1 settings made for x
+set atom $i y ${y0}
+set atom 80 y ${y0}
+set atom 80 y 6.47453133598796
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.69907911896487
+variable        y0 equal ${yi}
+variable        y0 equal 6.46656938330165
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.6406300532796
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.41525693670741
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     221   -2.9871562     2.484468    2.5050849 
+     222   -2.9871562     2.484468    2.4902262 
+Loop time of 6.29425e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.69907911896487
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.46656938330165
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.67596542118666
+variable        y0 equal ${yi}
+variable        y0 equal 3.54897683425081
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.66069640396712
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.55637566609514
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     222   -2.9871562     2.484468    2.4902262 
+     223   -2.9871562     2.484468    2.4655846 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 2.46558463942581
+variable naccept equal ${increment}
+variable naccept equal 87
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.2623671062729
+variable        y0 equal ${yi}
+variable        y0 equal 1.85691285512513
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.17639917214128
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.86436036012238
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     223   -2.9871562    2.4655846    2.4655846 
+     224   -2.9871562    2.4655846    2.5872591 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.2623671062729
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.85691285512513
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 41
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6815487464123
+variable        y0 equal ${yi}
+variable        y0 equal 3.78250859542024
+
+set             atom $i x ${xnew}
+set             atom 41 x ${xnew}
+set             atom 41 x 10.7142239649945
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 41 y ${ynew}
+set             atom 41 y 3.83558911843431
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     224   -2.9871562    2.4655846    2.5872591 
+     225   -2.9871562    2.4655846    2.5082268 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 41 x ${x0}
+set atom 41 x 10.6815487464123
+  1 settings made for x
+set atom $i y ${y0}
+set atom 41 y ${y0}
+set atom 41 y 3.78250859542024
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 81
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6813830812626
+variable        y0 equal ${yi}
+variable        y0 equal 7.44148362007403
+
+set             atom $i x ${xnew}
+set             atom 81 x ${xnew}
+set             atom 81 x 10.6724219401531
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 81 y ${ynew}
+set             atom 81 y 7.35836273756289
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     225   -2.9871562    2.4655846    2.5082268 
+     226   -2.9871562    2.4655846    2.5064764 
+Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 81 x ${x0}
+set atom 81 x 10.6813830812626
+  1 settings made for x
+set atom $i y ${y0}
+set atom 81 y ${y0}
+set atom 81 y 7.44148362007403
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.69907911896487
+variable        y0 equal ${yi}
+variable        y0 equal 6.46656938330165
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.76873043656131
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.43484980598918
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     226   -2.9871562    2.4655846    2.5064764 
+     227   -2.9871562    2.4655846    2.5053485 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.69907911896487
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.46656938330165
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.5705074151211
+variable        y0 equal ${yi}
+variable        y0 equal 5.44929230158525
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x 10.5000557978802
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.47984230463701
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     227   -2.9871562    2.4655846    2.5053485 
+     228   -2.9871562    2.4655846    2.6772775 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 61 x ${x0}
+set atom 61 x 10.5705074151211
+  1 settings made for x
+set atom $i y ${y0}
+set atom 61 y ${y0}
+set atom 61 y 5.44929230158525
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 56
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.15227542518474
+variable        y0 equal ${yi}
+variable        y0 equal 4.80270715111658
+
+set             atom $i x ${xnew}
+set             atom 56 x ${xnew}
+set             atom 56 x 8.07615996002056
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 56 y ${ynew}
+set             atom 56 y 4.7173995649235
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     228   -2.9871562    2.4655846    2.6772775 
+     229   -2.9871562    2.4655846    2.4400352 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 2.44003516207569
+variable naccept equal ${increment}
+variable naccept equal 88
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 81
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6813830812626
+variable        y0 equal ${yi}
+variable        y0 equal 7.44148362007403
+
+set             atom $i x ${xnew}
+set             atom 81 x ${xnew}
+set             atom 81 x 10.7781736691647
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 81 y ${ynew}
+set             atom 81 y 7.35604211416506
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     229   -2.9871562    2.4400352    2.4400352 
+     230   -2.9871562    2.4400352    2.3465175 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 2.34651745930112
+variable naccept equal ${increment}
+variable naccept equal 89
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.45365178981688
+variable        y0 equal ${yi}
+variable        y0 equal 5.53061765377717
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.46989903846648
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.60639603083329
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     230   -2.9871562    2.3465175    2.3465175 
+     231   -2.9871562    2.3465175    2.3508133 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 71 x ${x0}
+set atom 71 x 5.45365178981688
+  1 settings made for x
+set atom $i y ${y0}
+set atom 71 y ${y0}
+set atom 71 y 5.53061765377717
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 9
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.30328945000382
+variable        y0 equal ${yi}
+variable        y0 equal 9.24472218263477
+
+set             atom $i x ${xnew}
+set             atom 9 x ${xnew}
+set             atom 9 x 4.2174924977562
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 9 y ${ynew}
+set             atom 9 y 9.23501479137271
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     231   -2.9871562    2.3465175    2.3508133 
+     232   -2.9871562    2.3465175    2.3609849 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 9 x ${x0}
+set atom 9 x 4.30328945000382
+  1 settings made for x
+set atom $i y ${y0}
+set atom 9 y ${y0}
+set atom 9 y 9.24472218263477
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 79
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.71175088165876
+variable        y0 equal ${yi}
+variable        y0 equal 5.71374509279924
+
+set             atom $i x ${xnew}
+set             atom 79 x ${xnew}
+set             atom 79 x 9.73368551014539
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 79 y ${ynew}
+set             atom 79 y 5.73669055645662
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     232   -2.9871562    2.3465175    2.3609849 
+     233   -2.9871562    2.3465175    2.3599017 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 79 x ${x0}
+set atom 79 x 9.71175088165876
+  1 settings made for x
+set atom $i y ${y0}
+set atom 79 y ${y0}
+set atom 79 y 5.71374509279924
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.93844582477913
+variable        y0 equal ${yi}
+variable        y0 equal 9.28443172681659
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 1.93738202492104
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y 9.35388676631778
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     233   -2.9871562    2.3465175    2.3599017 
+     234   -2.9871562    2.3465175    2.4501665 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 5 x ${x0}
+set atom 5 x 1.93844582477913
+  1 settings made for x
+set atom $i y ${y0}
+set atom 5 y ${y0}
+set atom 5 y 9.28443172681659
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.30100279251004
+variable        y0 equal ${yi}
+variable        y0 equal 7.47468527879977
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.22193996110822
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.39776486482882
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     234   -2.9871562    2.3465175    2.4501665 
+     235   -2.9871562    2.3465175    2.5319956 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 91 x ${x0}
+set atom 91 x 5.30100279251004
+  1 settings made for x
+set atom $i y ${y0}
+set atom 91 y ${y0}
+set atom 91 y 7.47468527879977
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 37
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.51145575204317
+variable        y0 equal ${yi}
+variable        y0 equal 1.77417989156312
+
+set             atom $i x ${xnew}
+set             atom 37 x ${xnew}
+set             atom 37 x 8.47960474648897
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 37 y ${ynew}
+set             atom 37 y 1.80078221938676
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     235   -2.9871562    2.3465175    2.5319956 
+     236   -2.9871562    2.3465175    2.3355328 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 2.33553281501307
+variable naccept equal ${increment}
+variable naccept equal 90
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 78
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.05291998106987
+variable        y0 equal ${yi}
+variable        y0 equal 6.54749028221598
+
+set             atom $i x ${xnew}
+set             atom 78 x ${xnew}
+set             atom 78 x 8.99259245116264
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 78 y ${ynew}
+set             atom 78 y 6.63762179152003
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     236   -2.9871562    2.3355328    2.3355328 
+     237   -2.9871562    2.3355328     2.371876 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 78 x ${x0}
+set atom 78 x 9.05291998106987
+  1 settings made for x
+set atom $i y ${y0}
+set atom 78 y ${y0}
+set atom 78 y 6.54749028221598
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.419449497847
+variable        y0 equal ${yi}
+variable        y0 equal 3.62166059775483
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.40840894141618
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.68270436091554
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     237   -2.9871562    2.3355328     2.371876 
+     238   -2.9871562    2.3355328    2.3397584 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 57 x ${x0}
+set atom 57 x 8.419449497847
+  1 settings made for x
+set atom $i y ${y0}
+set atom 57 y ${y0}
+set atom 57 y 3.62166059775483
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.44531484046842
+variable        y0 equal ${yi}
+variable        y0 equal 2.01137088916367
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.38733753362562
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 1.98514271161622
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     238   -2.9871562    2.3355328    2.3397584 
+     239   -2.9871562    2.3355328    2.2989349 
+Loop time of 4.3869e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 2.29893492861156
+variable naccept equal ${increment}
+variable naccept equal 91
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.93844582477913
+variable        y0 equal ${yi}
+variable        y0 equal 9.28443172681659
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 1.99810193220482
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y 9.37699267375797
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     239   -2.9871562    2.2989349    2.2989349 
+     240   -2.9871562    2.2989349    2.4168172 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 5 x ${x0}
+set atom 5 x 1.93844582477913
+  1 settings made for x
+set atom $i y ${y0}
+set atom 5 y ${y0}
+set atom 5 y 9.28443172681659
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 73
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.50041027783471
+variable        y0 equal ${yi}
+variable        y0 equal 5.47833287661272
+
+set             atom $i x ${xnew}
+set             atom 73 x ${xnew}
+set             atom 73 x 6.50871119021493
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 73 y ${ynew}
+set             atom 73 y 5.46063058321672
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     240   -2.9871562    2.2989349    2.4168172 
+     241   -2.9871562    2.2989349    2.3079187 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 73 x ${x0}
+set atom 73 x 6.50041027783471
+  1 settings made for x
+set atom $i y ${y0}
+set atom 73 y ${y0}
+set atom 73 y 5.47833287661272
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80891637126094
+variable        y0 equal ${yi}
+variable        y0 equal 2.7453488108764
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.76476874867564
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.70177202197412
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     241   -2.9871562    2.2989349    2.3079187 
+     242   -2.9871562    2.2989349    2.3514607 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.80891637126094
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.7453488108764
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.89841231384918
+variable        y0 equal ${yi}
+variable        y0 equal 1.04761657308372
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.9833695558612
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 0.954696889627299
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     242   -2.9871562    2.2989349    2.3514607 
+     243   -2.9871562    2.2989349    2.3267175 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 14 x ${x0}
+set atom 14 x 6.89841231384918
+  1 settings made for x
+set atom $i y ${y0}
+set atom 14 y ${y0}
+set atom 14 y 1.04761657308372
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.08646931607715
+variable        y0 equal ${yi}
+variable        y0 equal 4.56544599884912
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 6.02711180407993
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.46827596777841
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     243   -2.9871562    2.2989349    2.3267175 
+     244   -2.9871562    2.2989349    2.4110565 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 52 x ${x0}
+set atom 52 x 6.08646931607715
+  1 settings made for x
+set atom $i y ${y0}
+set atom 52 y ${y0}
+set atom 52 y 4.56544599884912
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.89841231384918
+variable        y0 equal ${yi}
+variable        y0 equal 1.04761657308372
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.96632986345932
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 1.0597247440699
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     244   -2.9871562    2.2989349    2.4110565 
+     245   -2.9871562    2.2989349    2.3180912 
+Loop time of 0.000102997 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 14 x ${x0}
+set atom 14 x 6.89841231384918
+  1 settings made for x
+set atom $i y ${y0}
+set atom 14 y ${y0}
+set atom 14 y 1.04761657308372
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 27
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.27988629102269
+variable        y0 equal ${yi}
+variable        y0 equal 1.9303872742421
+
+set             atom $i x ${xnew}
+set             atom 27 x ${xnew}
+set             atom 27 x 3.21498584508458
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 27 y ${ynew}
+set             atom 27 y 1.99597549817627
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     245   -2.9871562    2.2989349    2.3180912 
+     246   -2.9871562    2.2989349    2.2049808 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 2.20498076363821
+variable naccept equal ${increment}
+variable naccept equal 92
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.35654126484605
+variable        y0 equal ${yi}
+variable        y0 equal 7.29389964666628
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.39849084694596
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.27104223099016
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     246   -2.9871562    2.2049808    2.2049808 
+     247   -2.9871562    2.2049808    2.2090796 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 89 x ${x0}
+set atom 89 x 4.35654126484605
+  1 settings made for x
+set atom $i y ${y0}
+set atom 89 y ${y0}
+set atom 89 y 7.29389964666628
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.74200649777537
+variable        y0 equal ${yi}
+variable        y0 equal 8.32967373050746
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.68310944357997
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.35611592449245
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     247   -2.9871562    2.2049808    2.2090796 
+     248   -2.9871562    2.2049808    2.3804213 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.74200649777537
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.32967373050746
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 17
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.55511315026705
+variable        y0 equal ${yi}
+variable        y0 equal 9.1494782041344
+
+set             atom $i x ${xnew}
+set             atom 17 x ${xnew}
+set             atom 17 x 8.60153190055315
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 17 y ${ynew}
+set             atom 17 y 9.0841515253815
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     248   -2.9871562    2.2049808    2.3804213 
+     249   -2.9871562    2.2049808    2.2911791 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 17 x ${x0}
+set atom 17 x 8.55511315026705
+  1 settings made for x
+set atom $i y ${y0}
+set atom 17 y ${y0}
+set atom 17 y 9.1494782041344
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 66
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.71809613902999
+variable        y0 equal ${yi}
+variable        y0 equal 6.45324923531046
+
+set             atom $i x ${xnew}
+set             atom 66 x ${xnew}
+set             atom 66 x 2.68463653524352
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 66 y ${ynew}
+set             atom 66 y 6.46641634241572
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     249   -2.9871562    2.2049808    2.2911791 
+     250   -2.9871562    2.2049808    2.2122944 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 66 x ${x0}
+set atom 66 x 2.71809613902999
+  1 settings made for x
+set atom $i y ${y0}
+set atom 66 y ${y0}
+set atom 66 y 6.45324923531046
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 84
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.69912415623446
+variable        y0 equal ${yi}
+variable        y0 equal 8.28526519455012
+
+set             atom $i x ${xnew}
+set             atom 84 x ${xnew}
+set             atom 84 x 1.63794375538607
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 84 y ${ynew}
+set             atom 84 y 8.371298693791
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     250   -2.9871562    2.2049808    2.2122944 
+     251   -2.9871562    2.2049808    2.1763007 
+Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 2.17630066012853
+variable naccept equal ${increment}
+variable naccept equal 93
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.14111500421868
+variable        y0 equal ${yi}
+variable        y0 equal 1.98998316905564
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.08580045143471
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.98135419271058
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     251   -2.9871562    2.1763007    2.1763007 
+     252   -2.9871562    2.1763007    2.2014574 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.14111500421868
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.98998316905564
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 19
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.54015185116407
+variable        y0 equal ${yi}
+variable        y0 equal 0.168617224693298
+
+set             atom $i x ${xnew}
+set             atom 19 x ${xnew}
+set             atom 19 x 9.50547549008009
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 19 y ${ynew}
+set             atom 19 y 0.19406349658966
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     252   -2.9871562    2.1763007    2.2014574 
+     253   -2.9871562    2.1763007    2.2167131 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 19 x ${x0}
+set atom 19 x 9.54015185116407
+  1 settings made for x
+set atom $i y ${y0}
+set atom 19 y ${y0}
+set atom 19 y 0.168617224693298
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 68
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.84334465781337
+variable        y0 equal ${yi}
+variable        y0 equal 6.64102999702921
+
+set             atom $i x ${xnew}
+set             atom 68 x ${xnew}
+set             atom 68 x 3.92664621392375
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 68 y ${ynew}
+set             atom 68 y 6.63731389776697
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     253   -2.9871562    2.1763007    2.2167131 
+     254   -2.9871562    2.1763007    2.4903702 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 68 x ${x0}
+set atom 68 x 3.84334465781337
+  1 settings made for x
+set atom $i y ${y0}
+set atom 68 y ${y0}
+set atom 68 y 6.64102999702921
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.89841231384918
+variable        y0 equal ${yi}
+variable        y0 equal 1.04761657308372
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.97736276665375
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 0.95279589484962
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     254   -2.9871562    2.1763007    2.4903702 
+     255   -2.9871562    2.1763007    2.2008871 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 14 x ${x0}
+set atom 14 x 6.89841231384918
+  1 settings made for x
+set atom $i y ${y0}
+set atom 14 y ${y0}
+set atom 14 y 1.04761657308372
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.45365178981688
+variable        y0 equal ${yi}
+variable        y0 equal 5.53061765377717
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.43885856071379
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.558475553443
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     255   -2.9871562    2.1763007    2.2008871 
+     256   -2.9871562    2.1763007    2.1772142 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 2.17721416636765
+variable naccept equal ${increment}
+variable naccept equal 94
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.528223629394438
+variable        y0 equal ${yi}
+variable        y0 equal 1.0003870446566
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.499662192264464
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 1.03355894874367
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     256   -2.9871562    2.1772142    2.1772142 
+     257   -2.9871562    2.1772142    2.1873307 
+Loop time of 8.70228e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.528223629394438
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 1.0003870446566
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.0394436744754
+variable        y0 equal ${yi}
+variable        y0 equal 2.83307024213174
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 7.00151706019088
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.84099396439889
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     257   -2.9871562    2.1772142    2.1873307 
+     258   -2.9871562    2.1772142    2.1365474 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 2.13654740169727
+variable naccept equal ${increment}
+variable naccept equal 95
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 32
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.01838682849399
+variable        y0 equal ${yi}
+variable        y0 equal 2.77655899497369
+
+set             atom $i x ${xnew}
+set             atom 32 x ${xnew}
+set             atom 32 x 5.98321292359821
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 32 y ${ynew}
+set             atom 32 y 2.82037467929223
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     258   -2.9871562    2.1365474    2.1365474 
+     259   -2.9871562    2.1365474      1.98574 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 1.98573995229882
+variable naccept equal ${increment}
+variable naccept equal 96
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 7
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.24925089835683
+variable        y0 equal ${yi}
+variable        y0 equal 9.24181336868137
+
+set             atom $i x ${xnew}
+set             atom 7 x ${xnew}
+set             atom 7 x 3.25217199086705
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 7 y ${ynew}
+set             atom 7 y 9.18758630264133
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     259   -2.9871562      1.98574      1.98574 
+     260   -2.9871562      1.98574    2.3063928 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 7 x ${x0}
+set atom 7 x 3.24925089835683
+  1 settings made for x
+set atom $i y ${y0}
+set atom 7 y ${y0}
+set atom 7 y 9.24181336868137
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 12
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.8571848150014
+variable        y0 equal ${yi}
+variable        y0 equal 0.822012730348437
+
+set             atom $i x ${xnew}
+set             atom 12 x ${xnew}
+set             atom 12 x 5.82616556842318
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 12 y ${ynew}
+set             atom 12 y 0.806922693956225
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     260   -2.9871562      1.98574    2.3063928 
+     261   -2.9871562      1.98574     2.005296 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 12 x ${x0}
+set atom 12 x 5.8571848150014
+  1 settings made for x
+set atom $i y ${y0}
+set atom 12 y ${y0}
+set atom 12 y 0.822012730348437
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 7
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.24925089835683
+variable        y0 equal ${yi}
+variable        y0 equal 9.24181336868137
+
+set             atom $i x ${xnew}
+set             atom 7 x ${xnew}
+set             atom 7 x 3.2526656842188
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 7 y ${ynew}
+set             atom 7 y 9.21431394327015
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     261   -2.9871562      1.98574     2.005296 
+     262   -2.9871562      1.98574    2.1117188 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 7 x ${x0}
+set atom 7 x 3.24925089835683
+  1 settings made for x
+set atom $i y ${y0}
+set atom 7 y ${y0}
+set atom 7 y 9.24181336868137
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.83310471732608
+variable        y0 equal ${yi}
+variable        y0 equal 8.3484317771345
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.75761678178302
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.31474177755412
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     262   -2.9871562      1.98574    2.1117188 
+     263   -2.9871562      1.98574    2.0053049 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 92 x ${x0}
+set atom 92 x 5.83310471732608
+  1 settings made for x
+set atom $i y ${y0}
+set atom 92 y ${y0}
+set atom 92 y 8.3484317771345
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 62
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.691218562522794
+variable        y0 equal ${yi}
+variable        y0 equal 6.6783623887681
+
+set             atom $i x ${xnew}
+set             atom 62 x ${xnew}
+set             atom 62 x 0.670342476764585
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 62 y ${ynew}
+set             atom 62 y 6.59568084017267
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     263   -2.9871562      1.98574    2.0053049 
+     264   -2.9871562      1.98574    1.9557278 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 1.95572776920715
+variable naccept equal ${increment}
+variable naccept equal 97
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.21031779963524
+variable        y0 equal ${yi}
+variable        y0 equal 4.89201650971338
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 9.20485454518349
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.87068404311105
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     264   -2.9871562    1.9557278    1.9557278 
+     265   -2.9871562    1.9557278    1.9474326 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 1.94743264633104
+variable naccept equal ${increment}
+variable naccept equal 98
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 19
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.54015185116407
+variable        y0 equal ${yi}
+variable        y0 equal 0.168617224693298
+
+set             atom $i x ${xnew}
+set             atom 19 x ${xnew}
+set             atom 19 x 9.61007420300123
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 19 y ${ynew}
+set             atom 19 y 0.260290694236755
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     265   -2.9871562    1.9474326    1.9474326 
+     266   -2.9871562    1.9474326    2.1043325 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 19 x ${x0}
+set atom 19 x 9.54015185116407
+  1 settings made for x
+set atom $i y ${y0}
+set atom 19 y ${y0}
+set atom 19 y 0.168617224693298
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.74200649777537
+variable        y0 equal ${yi}
+variable        y0 equal 8.32967373050746
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.80224820891505
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.3640069595724
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     266   -2.9871562    1.9474326    2.1043325 
+     267   -2.9871562    1.9474326     1.956461 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.74200649777537
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.32967373050746
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.82547415693236
+variable        y0 equal ${yi}
+variable        y0 equal 0.980638142335738
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.8267559309764
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 0.971250160444106
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     267   -2.9871562    1.9474326     1.956461 
+     268   -2.9871562    1.9474326     1.945302 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 1.94530198930784
+variable naccept equal ${increment}
+variable naccept equal 99
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.05527156868621
+variable        y0 equal ${yi}
+variable        y0 equal 4.53311400765344
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 7.02073226252242
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.46909262293741
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     268   -2.9871562     1.945302     1.945302 
+     269   -2.9871562     1.945302    1.9995352 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.05527156868621
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.53311400765344
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.01025660871802
+variable        y0 equal ${yi}
+variable        y0 equal 6.54333757893076
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 5.03032942652045
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.60091528431406
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     269   -2.9871562     1.945302    1.9995352 
+     270   -2.9871562     1.945302    1.9986875 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 5.01025660871802
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.54333757893076
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.10574056822807
+variable        y0 equal ${yi}
+variable        y0 equal 0.999771710145801
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 9.1836409540847
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 0.944023545492023
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     270   -2.9871562     1.945302    1.9986875 
+     271   -2.9871562     1.945302    2.0532795 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 18 x ${x0}
+set atom 18 x 9.10574056822807
+  1 settings made for x
+set atom $i y ${y0}
+set atom 18 y ${y0}
+set atom 18 y 0.999771710145801
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 30
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.92452969192802
+variable        y0 equal ${yi}
+variable        y0 equal 2.87330106469491
+
+set             atom $i x ${xnew}
+set             atom 30 x ${xnew}
+set             atom 30 x 4.91350137829124
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 30 y ${ynew}
+set             atom 30 y 2.84221006604531
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     271   -2.9871562     1.945302    2.0532795 
+     272   -2.9871562     1.945302    1.9484384 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 30 x ${x0}
+set atom 30 x 4.92452969192802
+  1 settings made for x
+set atom $i y ${y0}
+set atom 30 y ${y0}
+set atom 30 y 2.87330106469491
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 86
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.8703564425273
+variable        y0 equal ${yi}
+variable        y0 equal 8.50065911926326
+
+set             atom $i x ${xnew}
+set             atom 86 x ${xnew}
+set             atom 86 x 2.8117458124919
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 86 y ${ynew}
+set             atom 86 y 8.46798524774608
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     272   -2.9871562     1.945302    1.9484384 
+     273   -2.9871562     1.945302    1.7317291 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 1.7317290742616
+variable naccept equal ${increment}
+variable naccept equal 100
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 43
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.0444017084425
+variable        y0 equal ${yi}
+variable        y0 equal 3.71522757573259
+
+set             atom $i x ${xnew}
+set             atom 43 x ${xnew}
+set             atom 43 x 1.00807849486523
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 43 y ${ynew}
+set             atom 43 y 3.67135943932665
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     273   -2.9871562    1.7317291    1.7317291 
+     274   -2.9871562    1.7317291     1.727328 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 1.72732802807642
+variable naccept equal ${increment}
+variable naccept equal 101
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 35
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.35008210975897
+variable        y0 equal ${yi}
+variable        y0 equal 1.97732270143098
+
+set             atom $i x ${xnew}
+set             atom 35 x ${xnew}
+set             atom 35 x 7.30310733158362
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 35 y ${ynew}
+set             atom 35 y 1.91416514298982
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     274   -2.9871562     1.727328     1.727328 
+     275   -2.9871562     1.727328    1.6596755 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 1.65967554118081
+variable naccept equal ${increment}
+variable naccept equal 102
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.10574056822807
+variable        y0 equal ${yi}
+variable        y0 equal 0.999771710145801
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 9.01416312176735
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 1.02543041299614
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     275   -2.9871562    1.6596755    1.6596755 
+     276   -2.9871562    1.6596755    1.6431268 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 1.64312681561497
+variable naccept equal ${increment}
+variable naccept equal 103
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.67509861826239
+variable        y0 equal ${yi}
+variable        y0 equal 8.25264309562739
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.75239680647192
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.22711012281474
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     276   -2.9871562    1.6431268    1.6431268 
+     277   -2.9871562    1.6431268    1.6410917 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 1.64109174625658
+variable naccept equal ${increment}
+variable naccept equal 104
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 94
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.0883078245227
+variable        y0 equal ${yi}
+variable        y0 equal 8.34910107769069
+
+set             atom $i x ${xnew}
+set             atom 94 x ${xnew}
+set             atom 94 x 7.14858557263061
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 94 y ${ynew}
+set             atom 94 y 8.4324205151945
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     277   -2.9871562    1.6410917    1.6410917 
+     278   -2.9871562    1.6410917    1.6574711 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 94 x ${x0}
+set atom 94 x 7.0883078245227
+  1 settings made for x
+set atom $i y ${y0}
+set atom 94 y ${y0}
+set atom 94 y 8.34910107769069
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.86882879058009
+variable        y0 equal ${yi}
+variable        y0 equal 4.49039562100336
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.8558085254777
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.56099074238703
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     278   -2.9871562    1.6410917    1.6574711 
+     279   -2.9871562    1.6410917    1.2558275 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 1.25582751445049
+variable naccept equal ${increment}
+variable naccept equal 105
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 39
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.48253180264112
+variable        y0 equal ${yi}
+variable        y0 equal 1.83061694285935
+
+set             atom $i x ${xnew}
+set             atom 39 x ${xnew}
+set             atom 39 x 9.54107436417219
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 39 y ${ynew}
+set             atom 39 y 1.92576876065796
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     279   -2.9871562    1.2558275    1.2558275 
+     280   -2.9871562    1.2558275    1.3506862 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 39 x ${x0}
+set atom 39 x 9.48253180264112
+  1 settings made for x
+set atom $i y ${y0}
+set atom 39 y ${y0}
+set atom 39 y 1.83061694285935
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 41
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6815487464123
+variable        y0 equal ${yi}
+variable        y0 equal 3.78250859542024
+
+set             atom $i x ${xnew}
+set             atom 41 x ${xnew}
+set             atom 41 x 10.736381598299
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 41 y ${ynew}
+set             atom 41 y 3.75094525380266
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     280   -2.9871562    1.2558275    1.3506862 
+     281   -2.9871562    1.2558275    1.2353383 
+Loop time of 4.79221e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 1.23533830508635
+variable naccept equal ${increment}
+variable naccept equal 106
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 73
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.50041027783471
+variable        y0 equal ${yi}
+variable        y0 equal 5.47833287661272
+
+set             atom $i x ${xnew}
+set             atom 73 x ${xnew}
+set             atom 73 x 6.42834627150613
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 73 y ${ynew}
+set             atom 73 y 5.4691439980765
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     281   -2.9871562    1.2353383    1.2353383 
+     282   -2.9871562    1.2353383    1.2264629 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 1.2264628888717
+variable naccept equal ${increment}
+variable naccept equal 107
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 76
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.01283839343883
+variable        y0 equal ${yi}
+variable        y0 equal 6.39706618324747
+
+set             atom $i x ${xnew}
+set             atom 76 x ${xnew}
+set             atom 76 x 8.0722867071519
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 76 y ${ynew}
+set             atom 76 y 6.45118850008478
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     282   -2.9871562    1.2264629    1.2264629 
+     283   -2.9871562    1.2264629     1.135435 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 1.13543504322196
+variable naccept equal ${increment}
+variable naccept equal 108
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 82
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.527979464927579
+variable        y0 equal ${yi}
+variable        y0 equal 8.19242875494059
+
+set             atom $i x ${xnew}
+set             atom 82 x ${xnew}
+set             atom 82 x 0.508253164688016
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 82 y ${ynew}
+set             atom 82 y 8.16900298513468
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     283   -2.9871562     1.135435     1.135435 
+     284   -2.9871562     1.135435    1.1565057 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 82 x ${x0}
+set atom 82 x 0.527979464927579
+  1 settings made for x
+set atom $i y ${y0}
+set atom 82 y ${y0}
+set atom 82 y 8.19242875494059
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.419449497847
+variable        y0 equal ${yi}
+variable        y0 equal 3.62166059775483
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.40158554473344
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.56424064202439
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     284   -2.9871562     1.135435    1.1565057 
+     285   -2.9871562     1.135435    1.1416229 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 57 x ${x0}
+set atom 57 x 8.419449497847
+  1 settings made for x
+set atom $i y ${y0}
+set atom 57 y ${y0}
+set atom 57 y 3.62166059775483
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.12992211023675
+variable        y0 equal ${yi}
+variable        y0 equal 5.55094037001329
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.17916303316461
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.59357631151872
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     285   -2.9871562     1.135435    1.1416229 
+     286   -2.9871562     1.135435     1.146847 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 65 x ${x0}
+set atom 65 x 2.12992211023675
+  1 settings made for x
+set atom $i y ${y0}
+set atom 65 y ${y0}
+set atom 65 y 5.55094037001329
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 56
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.07615996002056
+variable        y0 equal ${yi}
+variable        y0 equal 4.7173995649235
+
+set             atom $i x ${xnew}
+set             atom 56 x ${xnew}
+set             atom 56 x 8.13544091581203
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 56 y ${ynew}
+set             atom 56 y 4.78325196856425
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     286   -2.9871562     1.135435     1.146847 
+     287   -2.9871562     1.135435    1.1495881 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 56 x ${x0}
+set atom 56 x 8.07615996002056
+  1 settings made for x
+set atom $i y ${y0}
+set atom 56 y ${y0}
+set atom 56 y 4.7173995649235
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.419449497847
+variable        y0 equal ${yi}
+variable        y0 equal 3.62166059775483
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.34415881791536
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.69185721440446
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     287   -2.9871562     1.135435    1.1495881 
+     288   -2.9871562     1.135435     1.172518 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 57 x ${x0}
+set atom 57 x 8.419449497847
+  1 settings made for x
+set atom $i y ${y0}
+set atom 57 y ${y0}
+set atom 57 y 3.62166059775483
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.14111500421868
+variable        y0 equal ${yi}
+variable        y0 equal 1.98998316905564
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.15834543148385
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.95142827413148
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     288   -2.9871562     1.135435     1.172518 
+     289   -2.9871562     1.135435    1.1281081 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 1.12810808282229
+variable naccept equal ${increment}
+variable naccept equal 109
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.719713945785428
+variable        y0 equal ${yi}
+variable        y0 equal 2.71912268372872
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.662689776817227
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.67404042455056
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     289   -2.9871562    1.1281081    1.1281081 
+     290   -2.9871562    1.1281081    1.1211865 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 1.1211864606703
+variable naccept equal ${increment}
+variable naccept equal 110
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 38
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.26134668309242
+variable        y0 equal ${yi}
+variable        y0 equal 2.72465627166131
+
+set             atom $i x ${xnew}
+set             atom 38 x ${xnew}
+set             atom 38 x 9.29207877833397
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 38 y ${ynew}
+set             atom 38 y 2.80869561406472
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     290   -2.9871562    1.1211865    1.1211865 
+     291   -2.9871562    1.1211865    1.2986889 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 38 x ${x0}
+set atom 38 x 9.26134668309242
+  1 settings made for x
+set atom $i y ${y0}
+set atom 38 y ${y0}
+set atom 38 y 2.72465627166131
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.8267559309764
+variable        y0 equal ${yi}
+variable        y0 equal 0.971250160444106
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.75902790029479
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 0.898522039163436
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     291   -2.9871562    1.1211865    1.2986889 
+     292   -2.9871562    1.1211865   0.94135303 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.941353026039151
+variable naccept equal ${increment}
+variable naccept equal 111
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.61105832934161
+variable        y0 equal ${yi}
+variable        y0 equal 4.50049876326486
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.5575939166524
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.49943247193261
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     292   -2.9871562   0.94135303   0.94135303 
+     293   -2.9871562   0.94135303   0.93764633 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.937646334407269
+variable naccept equal ${increment}
+variable naccept equal 112
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.01416312176735
+variable        y0 equal ${yi}
+variable        y0 equal 1.02543041299614
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 8.91501542050392
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 1.03042320798668
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     293   -2.9871562   0.93764633   0.93764633 
+     294   -2.9871562   0.93764633   0.98774818 
+Loop time of 8.4877e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 18 x ${x0}
+set atom 18 x 9.01416312176735
+  1 settings made for x
+set atom $i y ${y0}
+set atom 18 y ${y0}
+set atom 18 y 1.02543041299614
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.01025660871802
+variable        y0 equal ${yi}
+variable        y0 equal 6.54333757893076
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 5.00207789778052
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.54641065136423
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     294   -2.9871562   0.93764633   0.98774818 
+     295   -2.9871562   0.93764633   0.93896905 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 5.01025660871802
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.54333757893076
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.31983832835275
+variable        y0 equal ${yi}
+variable        y0 equal 9.28122769105762
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.25224061726648
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y 9.27107895124286
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     295   -2.9871562   0.93764633   0.93896905 
+     296   -2.9871562   0.93764633   0.98394718 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 13 x ${x0}
+set atom 13 x 6.31983832835275
+  1 settings made for x
+set atom $i y ${y0}
+set atom 13 y ${y0}
+set atom 13 y 9.28122769105762
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 93
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.39294121979791
+variable        y0 equal ${yi}
+variable        y0 equal 7.42644421186709
+
+set             atom $i x ${xnew}
+set             atom 93 x ${xnew}
+set             atom 93 x 6.37878628491479
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 93 y ${ynew}
+set             atom 93 y 7.3485107811954
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     296   -2.9871562   0.93764633   0.98394718 
+     297   -2.9871562   0.93764633    1.2470222 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 93 x ${x0}
+set atom 93 x 6.39294121979791
+  1 settings made for x
+set atom $i y ${y0}
+set atom 93 y ${y0}
+set atom 93 y 7.42644421186709
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80891637126094
+variable        y0 equal ${yi}
+variable        y0 equal 2.7453488108764
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.71343504706508
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.83674176904062
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     297   -2.9871562   0.93764633    1.2470222 
+     298   -2.9871562   0.93764633   0.94091343 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.80891637126094
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.7453488108764
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.2623671062729
+variable        y0 equal ${yi}
+variable        y0 equal 1.85691285512513
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.20108259995195
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.79835951707429
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     298   -2.9871562   0.93764633   0.94091343 
+     299   -2.9871562   0.93764633    1.0469015 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.2623671062729
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.85691285512513
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.4842599514982
+variable        y0 equal ${yi}
+variable        y0 equal 6.47453133598796
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.4386542324087
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.52439804808131
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     299   -2.9871562   0.93764633    1.0469015 
+     300   -2.9871562   0.93764633   0.94659579 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 80 x ${x0}
+set atom 80 x 10.4842599514982
+  1 settings made for x
+set atom $i y ${y0}
+set atom 80 y ${y0}
+set atom 80 y 6.47453133598796
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.34592144885923
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y 0.049927163124082
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     300   -2.9871562   0.93764633   0.94659579 
+     301   -2.9871562   0.93764633   0.97598964 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.5705074151211
+variable        y0 equal ${yi}
+variable        y0 equal 5.44929230158525
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x 10.5304636200123
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.51830297653871
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     301   -2.9871562   0.93764633   0.97598964 
+     302   -2.9871562   0.93764633    1.0699763 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 61 x ${x0}
+set atom 61 x 10.5705074151211
+  1 settings made for x
+set atom $i y ${y0}
+set atom 61 y ${y0}
+set atom 61 y 5.44929230158525
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.5575939166524
+variable        y0 equal ${yi}
+variable        y0 equal 4.49943247193261
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.65137007117053
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.58490908497735
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     302   -2.9871562   0.93764633    1.0699763 
+     303   -2.9871562   0.93764633   0.93545845 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.935458446203319
+variable naccept equal ${increment}
+variable naccept equal 113
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 32
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.98321292359821
+variable        y0 equal ${yi}
+variable        y0 equal 2.82037467929223
+
+set             atom $i x ${xnew}
+set             atom 32 x ${xnew}
+set             atom 32 x 5.90086858232013
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 32 y ${ynew}
+set             atom 32 y 2.85332814427712
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     303   -2.9871562   0.93545845   0.93545845 
+     304   -2.9871562   0.93545845   0.87859081 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.878590811659339
+variable naccept equal ${increment}
+variable naccept equal 114
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.16465403436519
+variable        y0 equal ${yi}
+variable        y0 equal 8.25818215526637
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.11236243842937
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.24853718198832
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     304   -2.9871562   0.87859081   0.87859081 
+     305   -2.9871562   0.87859081   0.84186673 
+Loop time of 4.60148e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.841866727873061
+variable naccept equal ${increment}
+variable naccept equal 115
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 24
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.65866128086825
+variable        y0 equal ${yi}
+variable        y0 equal 2.87525559636453
+
+set             atom $i x ${xnew}
+set             atom 24 x ${xnew}
+set             atom 24 x 1.58777606367846
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 24 y ${ynew}
+set             atom 24 y 2.84301091405252
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     305   -2.9871562   0.84186673   0.84186673 
+     306   -2.9871562   0.84186673   0.82826124 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.828261243053289
+variable naccept equal ${increment}
+variable naccept equal 116
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.01025660871802
+variable        y0 equal ${yi}
+variable        y0 equal 6.54333757893076
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.91611744999228
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.62693737284174
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     306   -2.9871562   0.82826124   0.82826124 
+     307   -2.9871562   0.82826124   0.96978441 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 5.01025660871802
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.54333757893076
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.35654126484605
+variable        y0 equal ${yi}
+variable        y0 equal 7.29389964666628
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.42171926577302
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.38157400217318
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     307   -2.9871562   0.82826124   0.96978441 
+     308   -2.9871562   0.82826124   0.73615492 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.736154916943769
+variable naccept equal ${increment}
+variable naccept equal 117
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.50696252742235
+variable        y0 equal ${yi}
+variable        y0 equal 5.69319788162904
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.43130980887834
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.75697098915773
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     308   -2.9871562   0.73615492   0.73615492 
+     309   -2.9871562   0.73615492    1.2254754 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 77 x ${x0}
+set atom 77 x 8.50696252742235
+  1 settings made for x
+set atom $i y ${y0}
+set atom 77 y ${y0}
+set atom 77 y 5.69319788162904
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 12
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.8571848150014
+variable        y0 equal ${yi}
+variable        y0 equal 0.822012730348437
+
+set             atom $i x ${xnew}
+set             atom 12 x ${xnew}
+set             atom 12 x 5.89277292449466
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 12 y ${ynew}
+set             atom 12 y 0.861734314668505
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     309   -2.9871562   0.73615492    1.2254754 
+     310   -2.9871562   0.73615492   0.71526213 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.715262129537996
+variable naccept equal ${increment}
+variable naccept equal 118
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.01416312176735
+variable        y0 equal ${yi}
+variable        y0 equal 1.02543041299614
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 9.0259944530204
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 1.09268743585381
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     310   -2.9871562   0.71526213   0.71526213 
+     311   -2.9871562   0.71526213   0.85184339 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 18 x ${x0}
+set atom 18 x 9.01416312176735
+  1 settings made for x
+set atom $i y ${y0}
+set atom 18 y ${y0}
+set atom 18 y 1.02543041299614
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 38
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.26134668309242
+variable        y0 equal ${yi}
+variable        y0 equal 2.72465627166131
+
+set             atom $i x ${xnew}
+set             atom 38 x ${xnew}
+set             atom 38 x 9.17907547671348
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 38 y ${ynew}
+set             atom 38 y 2.72399175139764
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     311   -2.9871562   0.71526213   0.85184339 
+     312   -2.9871562   0.71526213   0.64923108 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.649231076183207
+variable naccept equal ${increment}
+variable naccept equal 119
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.09856477419243
+variable        y0 equal ${yi}
+variable        y0 equal 7.42882086363101
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.171928853191
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.39512615528369
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     312   -2.9871562   0.64923108   0.64923108 
+     313   -2.9871562   0.64923108   0.64870609 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.648706088917602
+variable naccept equal ${increment}
+variable naccept equal 120
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 87
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.11265363454381
+variable        y0 equal ${yi}
+variable        y0 equal 7.54972790804171
+
+set             atom $i x ${xnew}
+set             atom 87 x ${xnew}
+set             atom 87 x 3.19670169114628
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 87 y ${ynew}
+set             atom 87 y 7.45894124832415
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     313   -2.9871562   0.64870609   0.64870609 
+     314   -2.9871562   0.64870609   0.60161949 
+Loop time of 4.81606e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.601619488272378
+variable naccept equal ${increment}
+variable naccept equal 121
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.15834543148385
+variable        y0 equal ${yi}
+variable        y0 equal 1.95142827413148
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.15292535463677
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.93014320514268
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     314   -2.9871562   0.60161949   0.60161949 
+     315   -2.9871562   0.60161949   0.60218553 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.15834543148385
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.95142827413148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.30100279251004
+variable        y0 equal ${yi}
+variable        y0 equal 7.47468527879977
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.25737026134396
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.50756908979678
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     315   -2.9871562   0.60161949   0.60218553 
+     316   -2.9871562   0.60161949   0.76497248 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 91 x ${x0}
+set atom 91 x 5.30100279251004
+  1 settings made for x
+set atom $i y ${y0}
+set atom 91 y ${y0}
+set atom 91 y 7.47468527879977
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 41
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.736381598299
+variable        y0 equal ${yi}
+variable        y0 equal 3.75094525380266
+
+set             atom $i x ${xnew}
+set             atom 41 x ${xnew}
+set             atom 41 x 10.8089002330951
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 41 y ${ynew}
+set             atom 41 y 3.70395618243349
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     316   -2.9871562   0.60161949   0.76497248 
+     317   -2.9871562   0.60161949    0.6150634 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 41 x ${x0}
+set atom 41 x 10.736381598299
+  1 settings made for x
+set atom $i y ${y0}
+set atom 41 y ${y0}
+set atom 41 y 3.75094525380266
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80891637126094
+variable        y0 equal ${yi}
+variable        y0 equal 2.7453488108764
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.74724085847026
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.75662622424463
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     317   -2.9871562   0.60161949    0.6150634 
+     318   -2.9871562   0.60161949    0.6212426 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.80891637126094
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.7453488108764
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.69907911896487
+variable        y0 equal ${yi}
+variable        y0 equal 6.46656938330165
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.63290837883731
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.37482504383556
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     318   -2.9871562   0.60161949    0.6212426 
+     319   -2.9871562   0.60161949   0.62114355 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.69907911896487
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.46656938330165
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 56
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.07615996002056
+variable        y0 equal ${yi}
+variable        y0 equal 4.7173995649235
+
+set             atom $i x ${xnew}
+set             atom 56 x ${xnew}
+set             atom 56 x 8.15357411502697
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 56 y ${ynew}
+set             atom 56 y 4.76654394024775
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     319   -2.9871562   0.60161949   0.62114355 
+     320   -2.9871562   0.60161949   0.61212154 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 56 x ${x0}
+set atom 56 x 8.07615996002056
+  1 settings made for x
+set atom $i y ${y0}
+set atom 56 y ${y0}
+set atom 56 y 4.7173995649235
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.10165440797368
+variable        y0 equal ${yi}
+variable        y0 equal 3.82401231093538
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.17658477782765
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.80986476702821
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     320   -2.9871562   0.60161949   0.61212154 
+     321   -2.9871562   0.60161949   0.50980081 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.509800810220961
+variable naccept equal ${increment}
+variable naccept equal 122
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.38733753362562
+variable        y0 equal ${yi}
+variable        y0 equal 1.98514271161622
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.44608472982313
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 2.07643402001924
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     321   -2.9871562   0.50980081   0.50980081 
+     322   -2.9871562   0.50980081   0.61820721 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 31 x ${x0}
+set atom 31 x 5.38733753362562
+  1 settings made for x
+set atom $i y ${y0}
+set atom 31 y ${y0}
+set atom 31 y 1.98514271161622
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 76
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.0722867071519
+variable        y0 equal ${yi}
+variable        y0 equal 6.45118850008478
+
+set             atom $i x ${xnew}
+set             atom 76 x ${xnew}
+set             atom 76 x 8.04694936870433
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 76 y ${ynew}
+set             atom 76 y 6.52130033508768
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     322   -2.9871562   0.50980081   0.61820721 
+     323   -2.9871562   0.50980081   0.45510145 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.455101454385928
+variable naccept equal ${increment}
+variable naccept equal 123
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.00151706019088
+variable        y0 equal ${yi}
+variable        y0 equal 2.84099396439889
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 6.97641189375564
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.79607654782632
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     323   -2.9871562   0.45510145   0.45510145 
+     324   -2.9871562   0.45510145   0.44648374 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.446483741326988
+variable naccept equal ${increment}
+variable naccept equal 124
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 10
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.86377175688087
+variable        y0 equal ${yi}
+variable        y0 equal 0.979123874414294
+
+set             atom $i x ${xnew}
+set             atom 10 x ${xnew}
+set             atom 10 x 4.90331059336006
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 10 y ${ynew}
+set             atom 10 y 0.983509906041949
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     324   -2.9871562   0.44648374   0.44648374 
+     325   -2.9871562   0.44648374   0.45449936 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 10 x ${x0}
+set atom 10 x 4.86377175688087
+  1 settings made for x
+set atom $i y ${y0}
+set atom 10 y ${y0}
+set atom 10 y 0.979123874414294
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 8
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.64581083575373
+variable        y0 equal ${yi}
+variable        y0 equal 1.1294338900927
+
+set             atom $i x ${xnew}
+set             atom 8 x ${xnew}
+set             atom 8 x 3.73614475051051
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 8 y ${ynew}
+set             atom 8 y 1.21287616084847
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     325   -2.9871562   0.44648374   0.45449936 
+     326   -2.9871562   0.44648374   0.63764505 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 8 x ${x0}
+set atom 8 x 3.64581083575373
+  1 settings made for x
+set atom $i y ${y0}
+set atom 8 y ${y0}
+set atom 8 y 1.1294338900927
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 35
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.30310733158362
+variable        y0 equal ${yi}
+variable        y0 equal 1.91416514298982
+
+set             atom $i x ${xnew}
+set             atom 35 x ${xnew}
+set             atom 35 x 7.39499159891379
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 35 y ${ynew}
+set             atom 35 y 1.92000625512666
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     326   -2.9871562   0.44648374   0.63764505 
+     327   -2.9871562   0.44648374   0.42797018 
+Loop time of 4.60148e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.427970183917575
+variable naccept equal ${increment}
+variable naccept equal 125
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.50235789218808
+variable        y0 equal ${yi}
+variable        y0 equal 3.73372400565278
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.54485606351758
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.65695375962388
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     327   -2.9871562   0.42797018   0.42797018 
+     328   -2.9871562   0.42797018    0.6610825 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 51 x ${x0}
+set atom 51 x 5.50235789218808
+  1 settings made for x
+set atom $i y ${y0}
+set atom 51 y ${y0}
+set atom 51 y 3.73372400565278
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.7506712782361
+variable        y0 equal ${yi}
+variable        y0 equal 0.888538749921649
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.71824898600359
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 0.933647318590014
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     328   -2.9871562   0.42797018    0.6610825 
+     329   -2.9871562   0.42797018   0.39916015 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.399160152989202
+variable naccept equal ${increment}
+variable naccept equal 126
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.528223629394438
+variable        y0 equal ${yi}
+variable        y0 equal 1.0003870446566
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.560817809501555
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 1.03491665910515
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     329   -2.9871562   0.39916015   0.39916015 
+     330   -2.9871562   0.39916015   0.40185583 
+Loop time of 4.60148e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.528223629394438
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 1.0003870446566
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.14124523719006
+variable        y0 equal ${yi}
+variable        y0 equal 7.51275172558093
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.11549679358654
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.55766046371722
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     330   -2.9871562   0.39916015   0.40185583 
+     331   -2.9871562   0.39916015   0.48906063 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.14124523719006
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.51275172558093
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.17658477782765
+variable        y0 equal ${yi}
+variable        y0 equal 3.80986476702821
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.23023854255238
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.88807414336335
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     331   -2.9871562   0.39916015   0.48906063 
+     332   -2.9871562   0.39916015   0.42897972 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 47 x ${x0}
+set atom 47 x 3.17658477782765
+  1 settings made for x
+set atom $i y ${y0}
+set atom 47 y ${y0}
+set atom 47 y 3.80986476702821
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 84
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.63794375538607
+variable        y0 equal ${yi}
+variable        y0 equal 8.371298693791
+
+set             atom $i x ${xnew}
+set             atom 84 x ${xnew}
+set             atom 84 x 1.57106729626437
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 84 y ${ynew}
+set             atom 84 y 8.45412160076198
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     332   -2.9871562   0.39916015   0.42897972 
+     333   -2.9871562   0.39916015   0.43569545 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 84 x ${x0}
+set atom 84 x 1.63794375538607
+  1 settings made for x
+set atom $i y ${y0}
+set atom 84 y ${y0}
+set atom 84 y 8.371298693791
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 10
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.86377175688087
+variable        y0 equal ${yi}
+variable        y0 equal 0.979123874414294
+
+set             atom $i x ${xnew}
+set             atom 10 x ${xnew}
+set             atom 10 x 4.88687561392128
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 10 y ${ynew}
+set             atom 10 y 0.889389975774615
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     333   -2.9871562   0.39916015   0.43569545 
+     334   -2.9871562   0.39916015    0.4185833 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 10 x ${x0}
+set atom 10 x 4.86377175688087
+  1 settings made for x
+set atom $i y ${y0}
+set atom 10 y ${y0}
+set atom 10 y 0.979123874414294
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.17658477782765
+variable        y0 equal ${yi}
+variable        y0 equal 3.80986476702821
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.0896934604601
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.79988858266008
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     334   -2.9871562   0.39916015    0.4185833 
+     335   -2.9871562   0.39916015   0.51973768 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 47 x ${x0}
+set atom 47 x 3.17658477782765
+  1 settings made for x
+set atom $i y ${y0}
+set atom 47 y ${y0}
+set atom 47 y 3.80986476702821
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80891637126094
+variable        y0 equal ${yi}
+variable        y0 equal 2.7453488108764
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.79604673901683
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.83362374278405
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     335   -2.9871562   0.39916015   0.51973768 
+     336   -2.9871562   0.39916015   0.37079441 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.370794410570449
+variable naccept equal ${increment}
+variable naccept equal 127
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 75
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.43141517479192
+variable        y0 equal ${yi}
+variable        y0 equal 5.56478210632998
+
+set             atom $i x ${xnew}
+set             atom 75 x ${xnew}
+set             atom 75 x 7.49551006395589
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 75 y ${ynew}
+set             atom 75 y 5.58417154495913
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     336   -2.9871562   0.37079441   0.37079441 
+     337   -2.9871562   0.37079441   0.37134494 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 75 x ${x0}
+set atom 75 x 7.43141517479192
+  1 settings made for x
+set atom $i y ${y0}
+set atom 75 y ${y0}
+set atom 75 y 5.56478210632998
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.2325967947569
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y 0.081431126594541
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     337   -2.9871562   0.37079441   0.37134494 
+     338   -2.9871562   0.37079441   0.41287264 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 26
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.76917257507277
+variable        y0 equal ${yi}
+variable        y0 equal 2.98904126855233
+
+set             atom $i x ${xnew}
+set             atom 26 x ${xnew}
+set             atom 26 x 2.73812366922331
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 26 y ${ynew}
+set             atom 26 y 2.96562054129937
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     338   -2.9871562   0.37079441   0.41287264 
+     339   -2.9871562   0.37079441   0.34387548 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.343875481982439
+variable naccept equal ${increment}
+variable naccept equal 128
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.50696252742235
+variable        y0 equal ${yi}
+variable        y0 equal 5.69319788162904
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.48728070416872
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.76202048008638
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     339   -2.9871562   0.34387548   0.34387548 
+     340   -2.9871562   0.34387548   0.43818864 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 77 x ${x0}
+set atom 77 x 8.50696252742235
+  1 settings made for x
+set atom $i y ${y0}
+set atom 77 y ${y0}
+set atom 77 y 5.69319788162904
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.34449196258451
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y 0.0756220102310156
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     340   -2.9871562   0.34387548   0.43818864 
+     341   -2.9871562   0.34387548   0.37326119 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 19
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.54015185116407
+variable        y0 equal ${yi}
+variable        y0 equal 0.168617224693298
+
+set             atom $i x ${xnew}
+set             atom 19 x ${xnew}
+set             atom 19 x 9.4949854779112
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 19 y ${ynew}
+set             atom 19 y 0.0935324668884274
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     341   -2.9871562   0.34387548   0.37326119 
+     342   -2.9871562   0.34387548   0.33837315 
+Loop time of 4.60148e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.338373152197701
+variable naccept equal ${increment}
+variable naccept equal 129
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.171928853191
+variable        y0 equal ${yi}
+variable        y0 equal 7.39512615528369
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.08580487409936
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.40365429249072
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     342   -2.9871562   0.33837315   0.33837315 
+     343   -2.9871562   0.33837315   0.36432519 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.171928853191
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.39512615528369
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.528223629394438
+variable        y0 equal ${yi}
+variable        y0 equal 1.0003870446566
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.490792246261503
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.959949858892287
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     343   -2.9871562   0.33837315   0.36432519 
+     344   -2.9871562   0.33837315   0.36695216 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.528223629394438
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 1.0003870446566
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.05597597320072
+variable        y0 equal ${yi}
+variable        y0 equal 6.6133103562974
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 5.98053418357364
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.63511340157023
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     344   -2.9871562   0.33837315   0.36695216 
+     345   -2.9871562   0.33837315   0.33376525 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.333765247542422
+variable naccept equal ${increment}
+variable naccept equal 130
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.89841231384918
+variable        y0 equal ${yi}
+variable        y0 equal 1.04761657308372
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.84895133057281
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 1.0897190053347
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     345   -2.9871562   0.33376525   0.33376525 
+     346   -2.9871562   0.33376525   0.34594189 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 14 x ${x0}
+set atom 14 x 6.89841231384918
+  1 settings made for x
+set atom $i y ${y0}
+set atom 14 y ${y0}
+set atom 14 y 1.04761657308372
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.38733753362562
+variable        y0 equal ${yi}
+variable        y0 equal 1.98514271161622
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.31064851680662
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 1.91864991567201
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     346   -2.9871562   0.33376525   0.34594189 
+     347   -2.9871562   0.33376525   0.32036207 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.320362070367371
+variable naccept equal ${increment}
+variable naccept equal 131
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.50235789218808
+variable        y0 equal ${yi}
+variable        y0 equal 3.73372400565278
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.53454333940411
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.81364343924653
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     347   -2.9871562   0.32036207   0.32036207 
+     348   -2.9871562   0.32036207   0.43311829 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 51 x ${x0}
+set atom 51 x 5.50235789218808
+  1 settings made for x
+set atom $i y ${y0}
+set atom 51 y ${y0}
+set atom 51 y 3.73372400565278
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.75902790029479
+variable        y0 equal ${yi}
+variable        y0 equal 0.898522039163436
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.70367804964019
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 0.934533329713668
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     348   -2.9871562   0.32036207   0.43311829 
+     349   -2.9871562   0.32036207    0.2957903 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.29579030149007
+variable naccept equal ${increment}
+variable naccept equal 132
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.171928853191
+variable        y0 equal ${yi}
+variable        y0 equal 7.39512615528369
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.15771750847207
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.45649659958148
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     349   -2.9871562    0.2957903    0.2957903 
+     350   -2.9871562    0.2957903   0.29508124 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.29508123707366
+variable naccept equal ${increment}
+variable naccept equal 133
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 12
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.89277292449466
+variable        y0 equal ${yi}
+variable        y0 equal 0.861734314668505
+
+set             atom $i x ${xnew}
+set             atom 12 x ${xnew}
+set             atom 12 x 5.90064037997714
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 12 y ${ynew}
+set             atom 12 y 0.845063658464281
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     350   -2.9871562   0.29508124   0.29508124 
+     351   -2.9871562   0.29508124   0.30372211 
+Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 12 x ${x0}
+set atom 12 x 5.89277292449466
+  1 settings made for x
+set atom $i y ${y0}
+set atom 12 y ${y0}
+set atom 12 y 0.861734314668505
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 82
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.527979464927579
+variable        y0 equal ${yi}
+variable        y0 equal 8.19242875494059
+
+set             atom $i x ${xnew}
+set             atom 82 x ${xnew}
+set             atom 82 x 0.525017555156613
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 82 y ${ynew}
+set             atom 82 y 8.15879053987559
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     351   -2.9871562   0.29508124   0.30372211 
+     352   -2.9871562   0.29508124   0.34172105 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 82 x ${x0}
+set atom 82 x 0.527979464927579
+  1 settings made for x
+set atom $i y ${y0}
+set atom 82 y ${y0}
+set atom 82 y 8.19242875494059
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 66
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.71809613902999
+variable        y0 equal ${yi}
+variable        y0 equal 6.45324923531046
+
+set             atom $i x ${xnew}
+set             atom 66 x ${xnew}
+set             atom 66 x 2.71696967084838
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 66 y ${ynew}
+set             atom 66 y 6.39043933884134
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     352   -2.9871562   0.29508124   0.34172105 
+     353   -2.9871562   0.29508124   0.30625059 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 66 x ${x0}
+set atom 66 x 2.71809613902999
+  1 settings made for x
+set atom $i y ${y0}
+set atom 66 y ${y0}
+set atom 66 y 6.45324923531046
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.50696252742235
+variable        y0 equal ${yi}
+variable        y0 equal 5.69319788162904
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.46997485318605
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.70727876370149
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     353   -2.9871562   0.29508124   0.30625059 
+     354   -2.9871562   0.29508124   0.31972163 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 77 x ${x0}
+set atom 77 x 8.50696252742235
+  1 settings made for x
+set atom $i y ${y0}
+set atom 77 y ${y0}
+set atom 77 y 5.69319788162904
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 3
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.885172382194331
+variable        y0 equal ${yi}
+variable        y0 equal 0.0248975276947021
+
+set             atom $i x ${xnew}
+set             atom 3 x ${xnew}
+set             atom 3 x 0.811495509940913
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 3 y ${ynew}
+set             atom 3 y 0.0115002632141113
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     354   -2.9871562   0.29508124   0.31972163 
+     355   -2.9871562   0.29508124   0.70233107 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 3 x ${x0}
+set atom 3 x 0.885172382194331
+  1 settings made for x
+set atom $i y ${y0}
+set atom 3 y ${y0}
+set atom 3 y 0.0248975276947021
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.65137007117053
+variable        y0 equal ${yi}
+variable        y0 equal 4.58490908497735
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.69552061438342
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.51204549426003
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     355   -2.9871562   0.29508124   0.70233107 
+     356   -2.9871562   0.29508124   0.33354179 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 44 x ${x0}
+set atom 44 x 1.65137007117053
+  1 settings made for x
+set atom $i y ${y0}
+set atom 44 y ${y0}
+set atom 44 y 4.58490908497735
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.98053418357364
+variable        y0 equal ${yi}
+variable        y0 equal 6.63511340157023
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 5.97472019155017
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.60899307266703
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     356   -2.9871562   0.29508124   0.33354179 
+     357   -2.9871562   0.29508124   0.26396275 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.26396274971894
+variable naccept equal ${increment}
+variable naccept equal 134
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.12992211023675
+variable        y0 equal ${yi}
+variable        y0 equal 5.55094037001329
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.15197625795709
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.63342326824861
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     357   -2.9871562   0.26396275   0.26396275 
+     358   -2.9871562   0.26396275    0.2970507 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 65 x ${x0}
+set atom 65 x 2.12992211023675
+  1 settings made for x
+set atom $i y ${y0}
+set atom 65 y ${y0}
+set atom 65 y 5.55094037001329
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.2262481812498
+variable        y0 equal ${yi}
+variable        y0 equal 2.83032892915109
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.1710992936155
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.86930716010431
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     358   -2.9871562   0.26396275    0.2970507 
+     359   -2.9871562   0.26396275   0.38303292 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.2262481812498
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.83032892915109
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.93844582477913
+variable        y0 equal ${yi}
+variable        y0 equal 9.28443172681659
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 1.98384495416985
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y 9.23920365083545
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     359   -2.9871562   0.26396275   0.38303292 
+     360   -2.9871562   0.26396275   0.26529661 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 5 x ${x0}
+set atom 5 x 1.93844582477913
+  1 settings made for x
+set atom $i y ${y0}
+set atom 5 y ${y0}
+set atom 5 y 9.28443172681659
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 100
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1610254410764
+variable        y0 equal ${yi}
+variable        y0 equal 8.2609955064207
+
+set             atom $i x ${xnew}
+set             atom 100 x ${xnew}
+set             atom 100 x 10.0828326229116
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 100 y ${ynew}
+set             atom 100 y 8.30345684207973
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     360   -2.9871562   0.26396275   0.26529661 
+     361   -2.9871562   0.26396275   0.27401982 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 100 x ${x0}
+set atom 100 x 10.1610254410764
+  1 settings made for x
+set atom $i y ${y0}
+set atom 100 y ${y0}
+set atom 100 y 8.2609955064207
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.50696252742235
+variable        y0 equal ${yi}
+variable        y0 equal 5.69319788162904
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.54028536239092
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.75229939167695
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     361   -2.9871562   0.26396275   0.27401982 
+     362   -2.9871562   0.26396275   0.31379274 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 77 x ${x0}
+set atom 77 x 8.50696252742235
+  1 settings made for x
+set atom $i y ${y0}
+set atom 77 y ${y0}
+set atom 77 y 5.69319788162904
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.662689776817227
+variable        y0 equal ${yi}
+variable        y0 equal 2.67404042455056
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.636496813693905
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.67731568786004
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     362   -2.9871562   0.26396275   0.31379274 
+     363   -2.9871562   0.26396275   0.25571674 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.255716735422817
+variable naccept equal ${increment}
+variable naccept equal 135
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 95
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.49662653047811
+variable        y0 equal ${yi}
+variable        y0 equal 7.37432011690402
+
+set             atom $i x ${xnew}
+set             atom 95 x ${xnew}
+set             atom 95 x 7.50331240732442
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 95 y ${ynew}
+set             atom 95 y 7.44483136263156
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     363   -2.9871562   0.25571674   0.25571674 
+     364   -2.9871562   0.25571674   0.19111581 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.191115810675534
+variable naccept equal ${increment}
+variable naccept equal 136
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.636496813693905
+variable        y0 equal ${yi}
+variable        y0 equal 2.67731568786004
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.71856998960104
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.73856755467751
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     364   -2.9871562   0.19111581   0.19111581 
+     365   -2.9871562   0.19111581    0.2687628 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.636496813693905
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.67731568786004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.79604673901683
+variable        y0 equal ${yi}
+variable        y0 equal 2.83362374278405
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.76497661391383
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.84230167838433
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     365   -2.9871562   0.19111581    0.2687628 
+     366   -2.9871562   0.19111581   0.19500906 
+Loop time of 4.69685e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.79604673901683
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.83362374278405
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.419449497847
+variable        y0 equal ${yi}
+variable        y0 equal 3.62166059775483
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.33346389689867
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.65696188969743
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     366   -2.9871562   0.19111581   0.19500906 
+     367   -2.9871562   0.19111581   0.23663173 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 57 x ${x0}
+set atom 57 x 8.419449497847
+  1 settings made for x
+set atom $i y ${y0}
+set atom 57 y ${y0}
+set atom 57 y 3.62166059775483
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 82
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.527979464927579
+variable        y0 equal ${yi}
+variable        y0 equal 8.19242875494059
+
+set             atom $i x ${xnew}
+set             atom 82 x ${xnew}
+set             atom 82 x 0.467086871066953
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 82 y ${ynew}
+set             atom 82 y 8.28344582237299
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     367   -2.9871562   0.19111581   0.23663173 
+     368   -2.9871562   0.19111581   0.12582147 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.125821468602904
+variable naccept equal ${increment}
+variable naccept equal 137
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.01025660871802
+variable        y0 equal ${yi}
+variable        y0 equal 6.54333757893076
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.9486086213523
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.50839406982889
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     368   -2.9871562   0.12582147   0.12582147 
+     369   -2.9871562   0.12582147  0.097751484 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.0977514839049006
+variable naccept equal ${increment}
+variable naccept equal 138
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.71824898600359
+variable        y0 equal ${yi}
+variable        y0 equal 0.933647318590014
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.80852850556154
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 0.995412464845507
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     369   -2.9871562  0.097751484  0.097751484 
+     370   -2.9871562  0.097751484    0.1632799 
+Loop time of 3.88622e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 4 x ${x0}
+set atom 4 x 1.71824898600359
+  1 settings made for x
+set atom $i y ${y0}
+set atom 4 y ${y0}
+set atom 4 y 0.933647318590014
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.2262481812498
+variable        y0 equal ${yi}
+variable        y0 equal 2.83032892915109
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.1941377643606
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.88416973325113
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     370   -2.9871562  0.097751484    0.1632799 
+     371   -2.9871562  0.097751484   0.20873771 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.2262481812498
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.83032892915109
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.71824898600359
+variable        y0 equal ${yi}
+variable        y0 equal 0.933647318590014
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.62032703041811
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 0.920044656503527
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     371   -2.9871562  0.097751484   0.20873771 
+     372   -2.9871562  0.097751484  0.087508691 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.0875086909447649
+variable naccept equal ${increment}
+variable naccept equal 139
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.3339799050351
+variable        y0 equal ${yi}
+variable        y0 equal 0.744276662576526
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.4201985482236
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 0.781599982488483
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     372   -2.9871562  0.087508691  0.087508691 
+     373   -2.9871562  0.087508691   0.21932996 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 20 x ${x0}
+set atom 20 x 10.3339799050351
+  1 settings made for x
+set atom $i y ${y0}
+set atom 20 y ${y0}
+set atom 20 y 0.744276662576526
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 78
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.05291998106987
+variable        y0 equal ${yi}
+variable        y0 equal 6.54749028221598
+
+set             atom $i x ${xnew}
+set             atom 78 x ${xnew}
+set             atom 78 x 9.12892665583641
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 78 y ${ynew}
+set             atom 78 y 6.566815645852
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     373   -2.9871562  0.087508691   0.21932996 
+     374   -2.9871562  0.087508691  0.072557679 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.0725576787877623
+variable naccept equal ${increment}
+variable naccept equal 140
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.66069640396712
+variable        y0 equal ${yi}
+variable        y0 equal 3.55637566609514
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.59941504477141
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.61995392604006
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     374   -2.9871562  0.072557679  0.072557679 
+     375   -2.9871562  0.072557679  0.015952498 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.01595249792244
+variable naccept equal ${increment}
+variable naccept equal 141
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.15834543148385
+variable        y0 equal ${yi}
+variable        y0 equal 1.95142827413148
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.16643180290566
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 2.00440783879823
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     375   -2.9871562  0.015952498  0.015952498 
+     376   -2.9871562  0.015952498  0.019542348 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.15834543148385
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.95142827413148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.36620524643976
+variable        y0 equal ${yi}
+variable        y0 equal 3.64652795357835
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.40990429638941
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.55323563380372
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     376   -2.9871562  0.015952498  0.019542348 
+     377   -2.9871562  0.015952498  0.030311792 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 53 x ${x0}
+set atom 53 x 6.36620524643976
+  1 settings made for x
+set atom $i y ${y0}
+set atom 53 y ${y0}
+set atom 53 y 3.64652795357835
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.12992211023675
+variable        y0 equal ${yi}
+variable        y0 equal 5.55094037001329
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.18878640571939
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.5354710811873
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     377   -2.9871562  0.015952498  0.030311792 
+     378   -2.9871562  0.015952498  0.013943455 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal 0.0139434553537386
+variable naccept equal ${increment}
+variable naccept equal 142
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 60
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1148146752378
+variable        y0 equal ${yi}
+variable        y0 equal 4.54698911065027
+
+set             atom $i x ${xnew}
+set             atom 60 x ${xnew}
+set             atom 60 x 10.0559338335058
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 60 y ${ynew}
+set             atom 60 y 4.48674157017633
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     378   -2.9871562  0.013943455  0.013943455 
+     379   -2.9871562  0.013943455  0.037957782 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 60 x ${x0}
+set atom 60 x 10.1148146752378
+  1 settings made for x
+set atom $i y ${y0}
+set atom 60 y ${y0}
+set atom 60 y 4.54698911065027
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.18878640571939
+variable        y0 equal ${yi}
+variable        y0 equal 5.5354710811873
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.23728191295969
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.58496802990632
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     379   -2.9871562  0.013943455  0.037957782 
+     380   -2.9871562  0.013943455  0.028182742 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 65 x ${x0}
+set atom 65 x 2.18878640571939
+  1 settings made for x
+set atom $i y ${y0}
+set atom 65 y ${y0}
+set atom 65 y 5.5354710811873
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 30
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.92452969192802
+variable        y0 equal ${yi}
+variable        y0 equal 2.87330106469491
+
+set             atom $i x ${xnew}
+set             atom 30 x ${xnew}
+set             atom 30 x 4.94397565960228
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 30 y ${ynew}
+set             atom 30 y 2.80666787597039
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     380   -2.9871562  0.013943455  0.028182742 
+     381   -2.9871562  0.013943455  0.038726377 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 30 x ${x0}
+set atom 30 x 4.92452969192802
+  1 settings made for x
+set atom $i y ${y0}
+set atom 30 y ${y0}
+set atom 30 y 2.87330106469491
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 30
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.92452969192802
+variable        y0 equal ${yi}
+variable        y0 equal 2.87330106469491
+
+set             atom $i x ${xnew}
+set             atom 30 x ${xnew}
+set             atom 30 x 4.85538826822578
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 30 y ${ynew}
+set             atom 30 y 2.91704781028131
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     381   -2.9871562  0.013943455  0.038726377 
+     382   -2.9871562  0.013943455 -0.0029113681 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.00291136808799739
+variable naccept equal ${increment}
+variable naccept equal 143
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.08646931607715
+variable        y0 equal ${yi}
+variable        y0 equal 4.56544599884912
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 6.03489085395328
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.55223173254892
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     382   -2.9871562 -0.0029113681 -0.0029113681 
+     383   -2.9871562 -0.0029113681 -0.018510184 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.0185101842136625
+variable naccept equal ${increment}
+variable naccept equal 144
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.83310471732608
+variable        y0 equal ${yi}
+variable        y0 equal 8.3484317771345
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.76145250756732
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.42561675228175
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     383   -2.9871562 -0.018510184 -0.018510184 
+     384   -2.9871562 -0.018510184 -0.0016797519 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 92 x ${x0}
+set atom 92 x 5.83310471732608
+  1 settings made for x
+set atom $i y ${y0}
+set atom 92 y ${y0}
+set atom 92 y 8.3484317771345
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 99
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.82006587265608
+variable        y0 equal ${yi}
+variable        y0 equal 7.43660313215518
+
+set             atom $i x ${xnew}
+set             atom 99 x ${xnew}
+set             atom 99 x 9.8102262306082
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 99 y ${ynew}
+set             atom 99 y 7.35523183670306
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     384   -2.9871562 -0.018510184 -0.0016797519 
+     385   -2.9871562 -0.018510184 -0.086884167 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.0868841674646081
+variable naccept equal ${increment}
+variable naccept equal 145
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 9
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.30328945000382
+variable        y0 equal ${yi}
+variable        y0 equal 9.24472218263477
+
+set             atom $i x ${xnew}
+set             atom 9 x ${xnew}
+set             atom 9 x 4.23321030218812
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 9 y ${ynew}
+set             atom 9 y 9.32075173366398
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     385   -2.9871562 -0.086884167 -0.086884167 
+     386   -2.9871562 -0.086884167 -0.084585275 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 9 x ${x0}
+set atom 9 x 4.30328945000382
+  1 settings made for x
+set atom $i y ${y0}
+set atom 9 y ${y0}
+set atom 9 y 9.24472218263477
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.42171926577302
+variable        y0 equal ${yi}
+variable        y0 equal 7.38157400217318
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.39214122374269
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.32321853962206
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     386   -2.9871562 -0.086884167 -0.084585275 
+     387   -2.9871562 -0.086884167  -0.09485721 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.0948572100933628
+variable naccept equal ${increment}
+variable naccept equal 146
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 26
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.73812366922331
+variable        y0 equal ${yi}
+variable        y0 equal 2.96562054129937
+
+set             atom $i x ${xnew}
+set             atom 26 x ${xnew}
+set             atom 26 x 2.64777944286299
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 26 y ${ynew}
+set             atom 26 y 2.8657853600631
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     387   -2.9871562  -0.09485721  -0.09485721 
+     388   -2.9871562  -0.09485721  -0.13734918 
+Loop time of 8.4877e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.137349179549931
+variable naccept equal ${increment}
+variable naccept equal 147
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 7
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.24925089835683
+variable        y0 equal ${yi}
+variable        y0 equal 9.24181336868137
+
+set             atom $i x ${xnew}
+set             atom 7 x ${xnew}
+set             atom 7 x 3.16547834634343
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 7 y ${ynew}
+set             atom 7 y 9.2590243886742
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     388   -2.9871562  -0.13734918  -0.13734918 
+     389   -2.9871562  -0.13734918 -0.098568982 
+Loop time of 0.037524 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 7 x ${x0}
+set atom 7 x 3.24925089835683
+  1 settings made for x
+set atom $i y ${y0}
+set atom 7 y ${y0}
+set atom 7 y 9.24181336868137
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 43
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.00807849486523
+variable        y0 equal ${yi}
+variable        y0 equal 3.67135943932665
+
+set             atom $i x ${xnew}
+set             atom 43 x ${xnew}
+set             atom 43 x 1.05134166796856
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 43 y ${ynew}
+set             atom 43 y 3.61244489712847
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     389   -2.9871562  -0.13734918 -0.098568982 
+     390   -2.9871562  -0.13734918  -0.10615077 
+Loop time of 4.50611e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 43 x ${x0}
+set atom 43 x 1.00807849486523
+  1 settings made for x
+set atom $i y ${y0}
+set atom 43 y ${y0}
+set atom 43 y 3.67135943932665
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 56
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.07615996002056
+variable        y0 equal ${yi}
+variable        y0 equal 4.7173995649235
+
+set             atom $i x ${xnew}
+set             atom 56 x ${xnew}
+set             atom 56 x 8.03701606391765
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 56 y ${ynew}
+set             atom 56 y 4.68836074227259
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     390   -2.9871562  -0.13734918  -0.10615077 
+     391   -2.9871562  -0.13734918  -0.13125562 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 56 x ${x0}
+set atom 56 x 8.07615996002056
+  1 settings made for x
+set atom $i y ${y0}
+set atom 56 y ${y0}
+set atom 56 y 4.7173995649235
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.36620524643976
+variable        y0 equal ${yi}
+variable        y0 equal 3.64652795357835
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.44271840571481
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.64753458066117
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     391   -2.9871562  -0.13734918  -0.13125562 
+     392   -2.9871562  -0.13734918  -0.25371275 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.253712748217588
+variable naccept equal ${increment}
+variable naccept equal 148
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.8558085254777
+variable        y0 equal ${yi}
+variable        y0 equal 4.56099074238703
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.79853938141947
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.56348908299372
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     392   -2.9871562  -0.25371275  -0.25371275 
+     393   -2.9871562  -0.25371275  -0.31400487 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.314004871066545
+variable naccept equal ${increment}
+variable naccept equal 149
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 43
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.00807849486523
+variable        y0 equal ${yi}
+variable        y0 equal 3.67135943932665
+
+set             atom $i x ${xnew}
+set             atom 43 x ${xnew}
+set             atom 43 x 0.98558675368481
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 43 y ${ynew}
+set             atom 43 y 3.62238544983996
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     393   -2.9871562  -0.31400487  -0.31400487 
+     394   -2.9871562  -0.31400487  -0.29631142 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 43 x ${x0}
+set atom 43 x 1.00807849486523
+  1 settings made for x
+set atom $i y ${y0}
+set atom 43 y ${y0}
+set atom 43 y 3.67135943932665
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.01416312176735
+variable        y0 equal ${yi}
+variable        y0 equal 1.02543041299614
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 8.95588066298515
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 0.958170147645798
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     394   -2.9871562  -0.31400487  -0.29631142 
+     395   -2.9871562  -0.31400487  -0.35531513 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.355315125754531
+variable naccept equal ${increment}
+variable naccept equal 150
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.79604673901683
+variable        y0 equal ${yi}
+variable        y0 equal 2.83362374278405
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.80888134757167
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.87047326537469
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     395   -2.9871562  -0.35531513  -0.35531513 
+     396   -2.9871562  -0.35531513  -0.35595282 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.355952820953483
+variable naccept equal ${increment}
+variable naccept equal 151
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 17
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.55511315026705
+variable        y0 equal ${yi}
+variable        y0 equal 9.1494782041344
+
+set             atom $i x ${xnew}
+set             atom 17 x ${xnew}
+set             atom 17 x 8.63540090480273
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 17 y ${ynew}
+set             atom 17 y 9.05229873168796
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     396   -2.9871562  -0.35595282  -0.35595282 
+     397   -2.9871562  -0.35595282  -0.15681053 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 17 x ${x0}
+set atom 17 x 8.55511315026705
+  1 settings made for x
+set atom $i y ${y0}
+set atom 17 y ${y0}
+set atom 17 y 9.1494782041344
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 97
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.52982973018114
+variable        y0 equal ${yi}
+variable        y0 equal 7.44936907615924
+
+set             atom $i x ${xnew}
+set             atom 97 x ${xnew}
+set             atom 97 x 8.52930599608843
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 97 y ${ynew}
+set             atom 97 y 7.42580200758243
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     397   -2.9871562  -0.35595282  -0.15681053 
+     398   -2.9871562  -0.35595282  -0.37581021 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.375810205703133
+variable naccept equal ${increment}
+variable naccept equal 152
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80888134757167
+variable        y0 equal ${yi}
+variable        y0 equal 2.87047326537469
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.8890337161172
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.87338973256448
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     398   -2.9871562  -0.37581021  -0.37581021 
+     399   -2.9871562  -0.37581021  -0.35070657 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.80888134757167
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.87047326537469
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.94675312637188
+variable        y0 equal ${yi}
+variable        y0 equal 0.975284381616443
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 7.98992828725674
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 1.05625400136742
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     399   -2.9871562  -0.37581021  -0.35070657 
+     400   -2.9871562  -0.37581021   -0.2934604 
+Loop time of 3.91006e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 16 x ${x0}
+set atom 16 x 7.94675312637188
+  1 settings made for x
+set atom $i y ${y0}
+set atom 16 y ${y0}
+set atom 16 y 0.975284381616443
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.50235789218808
+variable        y0 equal ${yi}
+variable        y0 equal 3.73372400565278
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.6012957851019
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.70070848031175
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     400   -2.9871562  -0.37581021   -0.2934604 
+     401   -2.9871562  -0.37581021  -0.16337613 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 51 x ${x0}
+set atom 51 x 5.50235789218808
+  1 settings made for x
+set atom $i y ${y0}
+set atom 51 y ${y0}
+set atom 51 y 3.73372400565278
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 9
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.30328945000382
+variable        y0 equal ${yi}
+variable        y0 equal 9.24472218263477
+
+set             atom $i x ${xnew}
+set             atom 9 x ${xnew}
+set             atom 9 x 4.31488733370514
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 9 y ${ynew}
+set             atom 9 y 9.32251842725605
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     401   -2.9871562  -0.37581021  -0.16337613 
+     402   -2.9871562  -0.37581021  -0.37565206 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.375652055580076
+variable naccept equal ${increment}
+variable naccept equal 153
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.18878640571939
+variable        y0 equal ${yi}
+variable        y0 equal 5.5354710811873
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.17491293588983
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.48421963398653
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     402   -2.9871562  -0.37565206  -0.37565206 
+     403   -2.9871562  -0.37565206  -0.37225402 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 65 x ${x0}
+set atom 65 x 2.18878640571939
+  1 settings made for x
+set atom $i y ${y0}
+set atom 65 y ${y0}
+set atom 65 y 5.5354710811873
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 100
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1610254410764
+variable        y0 equal ${yi}
+variable        y0 equal 8.2609955064207
+
+set             atom $i x ${xnew}
+set             atom 100 x ${xnew}
+set             atom 100 x 10.1835418347379
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 100 y ${ynew}
+set             atom 100 y 8.24674498952922
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     403   -2.9871562  -0.37565206  -0.37225402 
+     404   -2.9871562  -0.37565206  -0.37288201 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 100 x ${x0}
+set atom 100 x 10.1610254410764
+  1 settings made for x
+set atom $i y ${y0}
+set atom 100 y ${y0}
+set atom 100 y 8.2609955064207
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 56
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.07615996002056
+variable        y0 equal ${yi}
+variable        y0 equal 4.7173995649235
+
+set             atom $i x ${xnew}
+set             atom 56 x ${xnew}
+set             atom 56 x 7.98369615672924
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 56 y ${ynew}
+set             atom 56 y 4.74513911360667
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     404   -2.9871562  -0.37565206  -0.37288201 
+     405   -2.9871562  -0.37565206  -0.33818494 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 56 x ${x0}
+set atom 56 x 8.07615996002056
+  1 settings made for x
+set atom $i y ${y0}
+set atom 56 y ${y0}
+set atom 56 y 4.7173995649235
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 49
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.25381002505036
+variable        y0 equal ${yi}
+variable        y0 equal 3.80343433184755
+
+set             atom $i x ${xnew}
+set             atom 49 x ${xnew}
+set             atom 49 x 4.22407763083192
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 49 y ${ynew}
+set             atom 49 y 3.88091249032152
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     405   -2.9871562  -0.37565206  -0.33818494 
+     406   -2.9871562  -0.37565206 -0.056524228 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 49 x ${x0}
+set atom 49 x 4.25381002505036
+  1 settings made for x
+set atom $i y ${y0}
+set atom 49 y ${y0}
+set atom 49 y 3.80343433184755
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 49
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.25381002505036
+variable        y0 equal ${yi}
+variable        y0 equal 3.80343433184755
+
+set             atom $i x ${xnew}
+set             atom 49 x ${xnew}
+set             atom 49 x 4.16376730282517
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 49 y ${ynew}
+set             atom 49 y 3.79501231475008
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     406   -2.9871562  -0.37565206 -0.056524228 
+     407   -2.9871562  -0.37565206  -0.28113249 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 49 x ${x0}
+set atom 49 x 4.25381002505036
+  1 settings made for x
+set atom $i y ${y0}
+set atom 49 y ${y0}
+set atom 49 y 3.80343433184755
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.97641189375564
+variable        y0 equal ${yi}
+variable        y0 equal 2.79607654782632
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 6.95992501059219
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.78535908433297
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     407   -2.9871562  -0.37565206  -0.28113249 
+     408   -2.9871562  -0.37565206  -0.37074376 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 34 x ${x0}
+set atom 34 x 6.97641189375564
+  1 settings made for x
+set atom $i y ${y0}
+set atom 34 y ${y0}
+set atom 34 y 2.79607654782632
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.59941504477141
+variable        y0 equal ${yi}
+variable        y0 equal 3.61995392604006
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.58793857573149
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.56021992726458
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     408   -2.9871562  -0.37565206  -0.37074376 
+     409   -2.9871562  -0.37565206  -0.33435839 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 59 x ${x0}
+set atom 59 x 9.59941504477141
+  1 settings made for x
+set atom $i y ${y0}
+set atom 59 y ${y0}
+set atom 59 y 3.61995392604006
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 50
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.95269535421668
+variable        y0 equal ${yi}
+variable        y0 equal 4.50253551358148
+
+set             atom $i x ${xnew}
+set             atom 50 x ${xnew}
+set             atom 50 x 5.02775023817359
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 50 y ${ynew}
+set             atom 50 y 4.42098615521356
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     409   -2.9871562  -0.37565206  -0.33435839 
+     410   -2.9871562  -0.37565206  -0.15953732 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 50 x ${x0}
+set atom 50 x 4.95269535421668
+  1 settings made for x
+set atom $i y ${y0}
+set atom 50 y ${y0}
+set atom 50 y 4.50253551358148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 75
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.43141517479192
+variable        y0 equal ${yi}
+variable        y0 equal 5.56478210632998
+
+set             atom $i x ${xnew}
+set             atom 75 x ${xnew}
+set             atom 75 x 7.37508015472661
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 75 y ${ynew}
+set             atom 75 y 5.53550324385363
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     410   -2.9871562  -0.37565206  -0.15953732 
+     411   -2.9871562  -0.37565206  -0.35353521 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 75 x ${x0}
+set atom 75 x 7.43141517479192
+  1 settings made for x
+set atom $i y ${y0}
+set atom 75 y ${y0}
+set atom 75 y 5.56478210632998
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.5705074151211
+variable        y0 equal ${yi}
+variable        y0 equal 5.44929230158525
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x 10.6419550736599
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.43447923605638
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     411   -2.9871562  -0.37565206  -0.35353521 
+     412   -2.9871562  -0.37565206  -0.40290452 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.402904521900275
+variable naccept equal ${increment}
+variable naccept equal 154
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 100
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1610254410764
+variable        y0 equal ${yi}
+variable        y0 equal 8.2609955064207
+
+set             atom $i x ${xnew}
+set             atom 100 x ${xnew}
+set             atom 100 x 10.1072169307729
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 100 y ${ynew}
+set             atom 100 y 8.22592346586284
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     412   -2.9871562  -0.40290452  -0.40290452 
+     413   -2.9871562  -0.40290452  -0.35728825 
+Loop time of 4.69685e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 100 x ${x0}
+set atom 100 x 10.1610254410764
+  1 settings made for x
+set atom $i y ${y0}
+set atom 100 y ${y0}
+set atom 100 y 8.2609955064207
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.70367804964019
+variable        y0 equal ${yi}
+variable        y0 equal 0.934533329713668
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.68636388977004
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 1.00753840993675
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     413   -2.9871562  -0.40290452  -0.35728825 
+     414   -2.9871562  -0.40290452  -0.40257605 
+Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 6 x ${x0}
+set atom 6 x 2.70367804964019
+  1 settings made for x
+set atom $i y ${y0}
+set atom 6 y ${y0}
+set atom 6 y 0.934533329713668
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.64665825565291
+variable        y0 equal ${yi}
+variable        y0 equal 4.58244173878595
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.64626271923018
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.59080871695444
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     414   -2.9871562  -0.40290452  -0.40257605 
+     415   -2.9871562  -0.40290452  -0.40764742 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.407647423303261
+variable naccept equal ${increment}
+variable naccept equal 155
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0268441557884216
+variable        y0 equal ${yi}
+variable        y0 equal 0.0427583456039429
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x -0.00359064340591434
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 0.0381360530853272
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     415   -2.9871562  -0.40764742  -0.40764742 
+     416   -2.9871562  -0.40764742  -0.41381451 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.413814512691682
+variable naccept equal ${increment}
+variable naccept equal 156
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.3339799050351
+variable        y0 equal ${yi}
+variable        y0 equal 0.744276662576526
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.3526916984578
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 0.79871677945885
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     416   -2.9871562  -0.41381451  -0.41381451 
+     417   -2.9871562  -0.41381451  -0.56534429 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.565344294817149
+variable naccept equal ${increment}
+variable naccept equal 157
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 3
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.885172382194331
+variable        y0 equal ${yi}
+variable        y0 equal 0.0248975276947021
+
+set             atom $i x ${xnew}
+set             atom 3 x ${xnew}
+set             atom 3 x 0.887986353236964
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 3 y ${ynew}
+set             atom 3 y -0.00142977237701421
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     417   -2.9871562  -0.56534429  -0.56534429 
+     418   -2.9871562  -0.56534429  -0.57293845 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.572938446396488
+variable naccept equal ${increment}
+variable naccept equal 158
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 43
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.00807849486523
+variable        y0 equal ${yi}
+variable        y0 equal 3.67135943932665
+
+set             atom $i x ${xnew}
+set             atom 43 x ${xnew}
+set             atom 43 x 1.03878695090466
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 43 y ${ynew}
+set             atom 43 y 3.69885422749651
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     418   -2.9871562  -0.57293845  -0.57293845 
+     419   -2.9871562  -0.57293845  -0.57786873 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.577868728488782
+variable naccept equal ${increment}
+variable naccept equal 159
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.13253129164086
+variable        y0 equal ${yi}
+variable        y0 equal 3.65379038615358
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.2294186178814
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.65019634528291
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     419   -2.9871562  -0.57786873  -0.57786873 
+     420   -2.9871562  -0.57786873  -0.50890601 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 45 x ${x0}
+set atom 45 x 2.13253129164086
+  1 settings made for x
+set atom $i y ${y0}
+set atom 45 y ${y0}
+set atom 45 y 3.65379038615358
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 97
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.52930599608843
+variable        y0 equal ${yi}
+variable        y0 equal 7.42580200758243
+
+set             atom $i x ${xnew}
+set             atom 97 x ${xnew}
+set             atom 97 x 8.58716782489245
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 97 y ${ynew}
+set             atom 97 y 7.40188271131778
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     420   -2.9871562  -0.57786873  -0.50890601 
+     421   -2.9871562  -0.57786873  -0.60726177 
+Loop time of 4.50611e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.607261765732202
+variable naccept equal ${increment}
+variable naccept equal 160
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.30100279251004
+variable        y0 equal ${yi}
+variable        y0 equal 7.47468527879977
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.21386092105771
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.38727816667819
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     421   -2.9871562  -0.60726177  -0.60726177 
+     422   -2.9871562  -0.60726177  -0.34264401 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 91 x ${x0}
+set atom 91 x 5.30100279251004
+  1 settings made for x
+set atom $i y ${y0}
+set atom 91 y ${y0}
+set atom 91 y 7.47468527879977
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.20485454518349
+variable        y0 equal ${yi}
+variable        y0 equal 4.87068404311105
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 9.19003845173867
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.92800234908029
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     422   -2.9871562  -0.60726177  -0.34264401 
+     423   -2.9871562  -0.60726177  -0.59375216 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 58 x ${x0}
+set atom 58 x 9.20485454518349
+  1 settings made for x
+set atom $i y ${y0}
+set atom 58 y ${y0}
+set atom 58 y 4.87068404311105
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.89841231384918
+variable        y0 equal ${yi}
+variable        y0 equal 1.04761657308372
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.89916241446182
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 1.11506701301368
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     423   -2.9871562  -0.60726177  -0.59375216 
+     424   -2.9871562  -0.60726177   -0.5827688 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 14 x ${x0}
+set atom 14 x 6.89841231384918
+  1 settings made for x
+set atom $i y ${y0}
+set atom 14 y ${y0}
+set atom 14 y 1.04761657308372
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 56
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.07615996002056
+variable        y0 equal ${yi}
+variable        y0 equal 4.7173995649235
+
+set             atom $i x ${xnew}
+set             atom 56 x ${xnew}
+set             atom 56 x 8.0944710194955
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 56 y ${ynew}
+set             atom 56 y 4.65609761828349
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     424   -2.9871562  -0.60726177   -0.5827688 
+     425   -2.9871562  -0.60726177  -0.61137285 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.611372854209153
+variable naccept equal ${increment}
+variable naccept equal 161
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal -0.00359064340591434
+variable        y0 equal ${yi}
+variable        y0 equal 0.0381360530853272
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x -0.0483680248260498
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 0.0548078656196595
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     425   -2.9871562  -0.61137285  -0.61137285 
+     426   -2.9871562  -0.61137285   -0.5213177 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 1 x ${x0}
+set atom 1 x -0.00359064340591434
+  1 settings made for x
+set atom $i y ${y0}
+set atom 1 y ${y0}
+set atom 1 y 0.0381360530853272
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.41063080866109
+variable        y0 equal ${yi}
+variable        y0 equal 3.65039785666597
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.49241850216161
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.62302048964632
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     426   -2.9871562  -0.61137285   -0.5213177 
+     427   -2.9871562  -0.61137285  -0.61945438 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.619454384703692
+variable naccept equal ${increment}
+variable naccept equal 162
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31064851680662
+variable        y0 equal ${yi}
+variable        y0 equal 1.91864991567201
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.39310233989622
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 1.95581401965684
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     427   -2.9871562  -0.61945438  -0.61945438 
+     428   -2.9871562  -0.61945438  -0.61480823 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 31 x ${x0}
+set atom 31 x 5.31064851680662
+  1 settings made for x
+set atom $i y ${y0}
+set atom 31 y ${y0}
+set atom 31 y 1.91864991567201
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6419550736599
+variable        y0 equal ${yi}
+variable        y0 equal 5.43447923605638
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x 10.603181334322
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.38229488079744
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     428   -2.9871562  -0.61945438  -0.61480823 
+     429   -2.9871562  -0.61945438  -0.56775191 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 61 x ${x0}
+set atom 61 x 10.6419550736599
+  1 settings made for x
+set atom $i y ${y0}
+set atom 61 y ${y0}
+set atom 61 y 5.43447923605638
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 27
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.21498584508458
+variable        y0 equal ${yi}
+variable        y0 equal 1.99597549817627
+
+set             atom $i x ${xnew}
+set             atom 27 x ${xnew}
+set             atom 27 x 3.19226642608205
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 27 y ${ynew}
+set             atom 27 y 1.99900682351654
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     429   -2.9871562  -0.61945438  -0.56775191 
+     430   -2.9871562  -0.61945438  -0.62252018 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.622520181065607
+variable naccept equal ${increment}
+variable naccept equal 163
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 7
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.24925089835683
+variable        y0 equal ${yi}
+variable        y0 equal 9.24181336868137
+
+set             atom $i x ${xnew}
+set             atom 7 x ${xnew}
+set             atom 7 x 3.18484719752828
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 7 y ${ynew}
+set             atom 7 y 9.32755983579487
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     430   -2.9871562  -0.62252018  -0.62252018 
+     431   -2.9871562  -0.62252018  -0.68079701 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.6807970112752
+variable naccept equal ${increment}
+variable naccept equal 164
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.62032703041811
+variable        y0 equal ${yi}
+variable        y0 equal 0.920044656503527
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.64834408640642
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 0.990291782129137
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     431   -2.9871562  -0.68079701  -0.68079701 
+     432   -2.9871562  -0.68079701  -0.66282209 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 4 x ${x0}
+set atom 4 x 1.62032703041811
+  1 settings made for x
+set atom $i y ${y0}
+set atom 4 y ${y0}
+set atom 4 y 0.920044656503527
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.59941504477141
+variable        y0 equal ${yi}
+variable        y0 equal 3.61995392604006
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.54351456640837
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.68936000628603
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     432   -2.9871562  -0.68079701  -0.66282209 
+     433   -2.9871562  -0.68079701  -0.69613081 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.69613080798001
+variable naccept equal ${increment}
+variable naccept equal 165
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.75239680647192
+variable        y0 equal ${yi}
+variable        y0 equal 8.22711012281474
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.77505602478323
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.19277658380565
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     433   -2.9871562  -0.69613081  -0.69613081 
+     434   -2.9871562  -0.69613081  -0.63821022 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 90 x ${x0}
+set atom 90 x 4.75239680647192
+  1 settings made for x
+set atom $i y ${y0}
+set atom 90 y ${y0}
+set atom 90 y 8.22711012281474
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.14124523719006
+variable        y0 equal ${yi}
+variable        y0 equal 7.51275172558093
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.14560641368084
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.57244667139316
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     434   -2.9871562  -0.69613081  -0.63821022 
+     435   -2.9871562  -0.69613081  -0.66458857 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.14124523719006
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.51275172558093
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.13253129164086
+variable        y0 equal ${yi}
+variable        y0 equal 3.65379038615358
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.04630065599785
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.55691721005571
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     435   -2.9871562  -0.69613081  -0.66458857 
+     436   -2.9871562  -0.69613081  -0.50020529 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 45 x ${x0}
+set atom 45 x 2.13253129164086
+  1 settings made for x
+set atom $i y ${y0}
+set atom 45 y ${y0}
+set atom 45 y 3.65379038615358
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.89841231384918
+variable        y0 equal ${yi}
+variable        y0 equal 1.04761657308372
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.8845204738681
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 1.04688491414817
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     436   -2.9871562  -0.69613081  -0.50020529 
+     437   -2.9871562  -0.69613081  -0.69634254 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.696342540664597
+variable naccept equal ${increment}
+variable naccept equal 166
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 23
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.15621249993496
+variable        y0 equal ${yi}
+variable        y0 equal 1.78515173575944
+
+set             atom $i x ${xnew}
+set             atom 23 x ${xnew}
+set             atom 23 x 1.17116021235638
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 23 y ${ynew}
+set             atom 23 y 1.7085529484517
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     437   -2.9871562  -0.69634254  -0.69634254 
+     438   -2.9871562  -0.69634254  -0.63091112 
+Loop time of 4.79221e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 23 x ${x0}
+set atom 23 x 1.15621249993496
+  1 settings made for x
+set atom $i y ${y0}
+set atom 23 y ${y0}
+set atom 23 y 1.78515173575944
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 10
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.86377175688087
+variable        y0 equal ${yi}
+variable        y0 equal 0.979123874414294
+
+set             atom $i x ${xnew}
+set             atom 10 x ${xnew}
+set             atom 10 x 4.84791668295204
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 10 y ${ynew}
+set             atom 10 y 1.02251362394127
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     438   -2.9871562  -0.69634254  -0.63091112 
+     439   -2.9871562  -0.69634254  -0.69035981 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 10 x ${x0}
+set atom 10 x 4.86377175688087
+  1 settings made for x
+set atom $i y ${y0}
+set atom 10 y ${y0}
+set atom 10 y 0.979123874414294
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 78
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.12892665583641
+variable        y0 equal ${yi}
+variable        y0 equal 6.566815645852
+
+set             atom $i x ${xnew}
+set             atom 78 x ${xnew}
+set             atom 78 x 9.16566354949028
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 78 y ${ynew}
+set             atom 78 y 6.59235119358531
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     439   -2.9871562  -0.69634254  -0.69035981 
+     440   -2.9871562  -0.69634254  -0.69152529 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 78 x ${x0}
+set atom 78 x 9.12892665583641
+  1 settings made for x
+set atom $i y ${y0}
+set atom 78 y ${y0}
+set atom 78 y 6.566815645852
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 76
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.04694936870433
+variable        y0 equal ${yi}
+variable        y0 equal 6.52130033508768
+
+set             atom $i x ${xnew}
+set             atom 76 x ${xnew}
+set             atom 76 x 8.12744101880885
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 76 y ${ynew}
+set             atom 76 y 6.56631985441675
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     440   -2.9871562  -0.69634254  -0.69152529 
+     441   -2.9871562  -0.69634254   -0.7244268 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.72442679734782
+variable naccept equal ${increment}
+variable naccept equal 167
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.39214122374269
+variable        y0 equal ${yi}
+variable        y0 equal 7.32321853962206
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.36542353708955
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.24927220669054
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     441   -2.9871562   -0.7244268   -0.7244268 
+     442   -2.9871562   -0.7244268  -0.43857043 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 89 x ${x0}
+set atom 89 x 4.39214122374269
+  1 settings made for x
+set atom $i y ${y0}
+set atom 89 y ${y0}
+set atom 89 y 7.32321853962206
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 37
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.47960474648897
+variable        y0 equal ${yi}
+variable        y0 equal 1.80078221938676
+
+set             atom $i x ${xnew}
+set             atom 37 x ${xnew}
+set             atom 37 x 8.49348578610842
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 37 y ${ynew}
+set             atom 37 y 1.80821938893861
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     442   -2.9871562   -0.7244268  -0.43857043 
+     443   -2.9871562   -0.7244268  -0.72571206 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.725712057512812
+variable naccept equal ${increment}
+variable naccept equal 168
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.64626271923018
+variable        y0 equal ${yi}
+variable        y0 equal 4.59080871695444
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.73121382196379
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.59236890429422
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     443   -2.9871562  -0.72571206  -0.72571206 
+     444   -2.9871562  -0.72571206  -0.69616183 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.64626271923018
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.59080871695444
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.3526916984578
+variable        y0 equal ${yi}
+variable        y0 equal 0.79871677945885
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.3580195311566
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 0.876792534101337
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     444   -2.9871562  -0.72571206  -0.69616183 
+     445   -2.9871562  -0.72571206  -0.83374846 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.833748461449161
+variable naccept equal ${increment}
+variable naccept equal 169
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.69907911896487
+variable        y0 equal ${yi}
+variable        y0 equal 6.46656938330165
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.79258576512118
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.3892257763528
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     445   -2.9871562  -0.83374846  -0.83374846 
+     446   -2.9871562  -0.83374846  -0.76294504 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.69907911896487
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.46656938330165
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.20485454518349
+variable        y0 equal ${yi}
+variable        y0 equal 4.87068404311105
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 9.14132251460106
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.91687022799417
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     446   -2.9871562  -0.83374846  -0.76294504 
+     447   -2.9871562  -0.83374846  -0.83968471 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.839684713491453
+variable naccept equal ${increment}
+variable naccept equal 170
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.93844582477913
+variable        y0 equal ${yi}
+variable        y0 equal 9.28443172681659
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 1.90599263349877
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y 9.19636369455188
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     447   -2.9871562  -0.83968471  -0.83968471 
+     448   -2.9871562  -0.83968471  -0.73232511 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 5 x ${x0}
+set atom 5 x 1.93844582477913
+  1 settings made for x
+set atom $i y ${y0}
+set atom 5 y ${y0}
+set atom 5 y 9.28443172681659
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 78
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.12892665583641
+variable        y0 equal ${yi}
+variable        y0 equal 6.566815645852
+
+set             atom $i x ${xnew}
+set             atom 78 x ${xnew}
+set             atom 78 x 9.1799755902961
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 78 y ${ynew}
+set             atom 78 y 6.56346605555049
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     448   -2.9871562  -0.83968471  -0.73232511 
+     449   -2.9871562  -0.83968471  -0.84562458 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.845624583064159
+variable naccept equal ${increment}
+variable naccept equal 171
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.97641189375564
+variable        y0 equal ${yi}
+variable        y0 equal 2.79607654782632
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 6.91550807037994
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.76178218098977
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     449   -2.9871562  -0.84562458  -0.84562458 
+     450   -2.9871562  -0.84562458  -0.78590212 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 34 x ${x0}
+set atom 34 x 6.97641189375564
+  1 settings made for x
+set atom $i y ${y0}
+set atom 34 y ${y0}
+set atom 34 y 2.79607654782632
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 62
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.670342476764585
+variable        y0 equal ${yi}
+variable        y0 equal 6.59568084017267
+
+set             atom $i x ${xnew}
+set             atom 62 x ${xnew}
+set             atom 62 x 0.62701316634741
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 62 y ${ynew}
+set             atom 62 y 6.6135581208848
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     450   -2.9871562  -0.84562458  -0.78590212 
+     451   -2.9871562  -0.84562458  -0.79170794 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 62 x ${x0}
+set atom 62 x 0.670342476764585
+  1 settings made for x
+set atom $i y ${y0}
+set atom 62 y ${y0}
+set atom 62 y 6.59568084017267
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal -0.00359064340591434
+variable        y0 equal ${yi}
+variable        y0 equal 0.0381360530853272
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x 0.0401515126228332
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 0.051648759841919
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     451   -2.9871562  -0.84562458  -0.79170794 
+     452   -2.9871562  -0.84562458  -0.74997254 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 1 x ${x0}
+set atom 1 x -0.00359064340591434
+  1 settings made for x
+set atom $i y ${y0}
+set atom 1 y ${y0}
+set atom 1 y 0.0381360530853272
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.37933925469132
+variable        y0 equal ${yi}
+variable        y0 equal 5.58286277001101
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.47349561531754
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.50000146572787
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     452   -2.9871562  -0.84562458  -0.74997254 
+     453   -2.9871562  -0.84562458  -0.82564283 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.37933925469132
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.58286277001101
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.2262481812498
+variable        y0 equal ${yi}
+variable        y0 equal 2.83032892915109
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.3209650997183
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.73197911950448
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     453   -2.9871562  -0.84562458  -0.82564283 
+     454   -2.9871562  -0.84562458  -0.76912295 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.2262481812498
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.83032892915109
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 23
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.15621249993496
+variable        y0 equal ${yi}
+variable        y0 equal 1.78515173575944
+
+set             atom $i x ${xnew}
+set             atom 23 x ${xnew}
+set             atom 23 x 1.15155310948544
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 23 y ${ynew}
+set             atom 23 y 1.8275491871602
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     454   -2.9871562  -0.84562458  -0.76912295 
+     455   -2.9871562  -0.84562458  -0.85236367 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.852363666350836
+variable naccept equal ${increment}
+variable naccept equal 172
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6419550736599
+variable        y0 equal ${yi}
+variable        y0 equal 5.43447923605638
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x 10.6194513638668
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.51495547239976
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     455   -2.9871562  -0.85236367  -0.85236367 
+     456   -2.9871562  -0.85236367  -0.86191741 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.861917405416603
+variable naccept equal ${increment}
+variable naccept equal 173
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.64626271923018
+variable        y0 equal ${yi}
+variable        y0 equal 4.59080871695444
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.69588495691252
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.61304315680429
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     456   -2.9871562  -0.86191741  -0.86191741 
+     457   -2.9871562  -0.86191741  -0.86625399 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.866253987663703
+variable naccept equal ${increment}
+variable naccept equal 174
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 93
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.39294121979791
+variable        y0 equal ${yi}
+variable        y0 equal 7.42644421186709
+
+set             atom $i x ${xnew}
+set             atom 93 x ${xnew}
+set             atom 93 x 6.38658518313486
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 93 y ${ynew}
+set             atom 93 y 7.46601674881243
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     457   -2.9871562  -0.86625399  -0.86625399 
+     458   -2.9871562  -0.86625399  -0.88886353 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.888863533175298
+variable naccept equal ${increment}
+variable naccept equal 175
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.05527156868621
+variable        y0 equal ${yi}
+variable        y0 equal 4.53311400765344
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 7.10399909296676
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.54287984723016
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     458   -2.9871562  -0.88886353  -0.88886353 
+     459   -2.9871562  -0.88886353  -0.88307256 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.05527156868621
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.53311400765344
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 10
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.86377175688087
+variable        y0 equal ${yi}
+variable        y0 equal 0.979123874414294
+
+set             atom $i x ${xnew}
+set             atom 10 x ${xnew}
+set             atom 10 x 4.93643027185737
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 10 y ${ynew}
+set             atom 10 y 0.935460694539874
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     459   -2.9871562  -0.88886353  -0.88307256 
+     460   -2.9871562  -0.88886353  -0.86062542 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 10 x ${x0}
+set atom 10 x 4.86377175688087
+  1 settings made for x
+set atom $i y ${y0}
+set atom 10 y ${y0}
+set atom 10 y 0.979123874414294
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 56
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.0944710194955
+variable        y0 equal ${yi}
+variable        y0 equal 4.65609761828349
+
+set             atom $i x ${xnew}
+set             atom 56 x ${xnew}
+set             atom 56 x 8.07701476215221
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 56 y ${ynew}
+set             atom 56 y 4.75187495106624
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     460   -2.9871562  -0.88886353  -0.86062542 
+     461   -2.9871562  -0.88886353  -0.87932292 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 56 x ${x0}
+set atom 56 x 8.0944710194955
+  1 settings made for x
+set atom $i y ${y0}
+set atom 56 y ${y0}
+set atom 56 y 4.65609761828349
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.21781034866239
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y -0.0193086504936243
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     461   -2.9871562  -0.88886353  -0.87932292 
+     462   -2.9871562  -0.88886353  -0.84113792 
+Loop time of 4.69685e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.49241850216161
+variable        y0 equal ${yi}
+variable        y0 equal 3.62302048964632
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.46428811390172
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.72214555306566
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     462   -2.9871562  -0.88886353  -0.84113792 
+     463   -2.9871562  -0.88886353  -0.86531853 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 55 x ${x0}
+set atom 55 x 7.49241850216161
+  1 settings made for x
+set atom $i y ${y0}
+set atom 55 y ${y0}
+set atom 55 y 3.62302048964632
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.636496813693905
+variable        y0 equal ${yi}
+variable        y0 equal 2.67731568786004
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.703246589103603
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.73100906583169
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     463   -2.9871562  -0.88886353  -0.86531853 
+     464   -2.9871562  -0.88886353  -0.85111057 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.636496813693905
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.67731568786004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.13253129164086
+variable        y0 equal ${yi}
+variable        y0 equal 3.65379038615358
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.0545358721386
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.56091283126009
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     464   -2.9871562  -0.88886353  -0.85111057 
+     465   -2.9871562  -0.88886353  -0.71392224 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 45 x ${x0}
+set atom 45 x 2.13253129164086
+  1 settings made for x
+set atom $i y ${y0}
+set atom 45 y ${y0}
+set atom 45 y 3.65379038615358
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 73
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.42834627150613
+variable        y0 equal ${yi}
+variable        y0 equal 5.4691439980765
+
+set             atom $i x ${xnew}
+set             atom 73 x ${xnew}
+set             atom 73 x 6.5081527423771
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 73 y ${ynew}
+set             atom 73 y 5.47238255684573
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     465   -2.9871562  -0.88886353  -0.71392224 
+     466   -2.9871562  -0.88886353  -0.86866568 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 73 x ${x0}
+set atom 73 x 6.42834627150613
+  1 settings made for x
+set atom $i y ${y0}
+set atom 73 y ${y0}
+set atom 73 y 5.4691439980765
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.50235789218808
+variable        y0 equal ${yi}
+variable        y0 equal 3.73372400565278
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.51600958505536
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.73383900685441
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     466   -2.9871562  -0.88886353  -0.86866568 
+     467   -2.9871562  -0.88886353  -0.87868054 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 51 x ${x0}
+set atom 51 x 5.50235789218808
+  1 settings made for x
+set atom $i y ${y0}
+set atom 51 y ${y0}
+set atom 51 y 3.73372400565278
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80888134757167
+variable        y0 equal ${yi}
+variable        y0 equal 2.87047326537469
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.83821101704723
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.93459080430368
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     467   -2.9871562  -0.88886353  -0.87868054 
+     468   -2.9871562  -0.88886353  -0.86683867 
+Loop time of 5.10216e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.80888134757167
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.87047326537469
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.97641189375564
+variable        y0 equal ${yi}
+variable        y0 equal 2.79607654782632
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 6.974634220988
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.75589405270913
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     468   -2.9871562  -0.88886353  -0.86683867 
+     469   -2.9871562  -0.88886353  -0.85257734 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 34 x ${x0}
+set atom 34 x 6.97641189375564
+  1 settings made for x
+set atom $i y ${y0}
+set atom 34 y ${y0}
+set atom 34 y 2.79607654782632
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.15834543148385
+variable        y0 equal ${yi}
+variable        y0 equal 1.95142827413148
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.12454481760369
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.94046374938554
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     469   -2.9871562  -0.88886353  -0.85257734 
+     470   -2.9871562  -0.88886353  -0.88442556 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.15834543148385
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.95142827413148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.39214122374269
+variable        y0 equal ${yi}
+variable        y0 equal 7.32321853962206
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.35480908234331
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.28787796821856
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     470   -2.9871562  -0.88886353  -0.88442556 
+     471   -2.9871562  -0.88886353  -0.75982853 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 89 x ${x0}
+set atom 89 x 4.39214122374269
+  1 settings made for x
+set atom $i y ${y0}
+set atom 89 y ${y0}
+set atom 89 y 7.32321853962206
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.75239680647192
+variable        y0 equal ${yi}
+variable        y0 equal 8.22711012281474
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.66485737203894
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.14631723083552
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     471   -2.9871562  -0.88886353  -0.75982853 
+     472   -2.9871562  -0.88886353  -0.73311386 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 90 x ${x0}
+set atom 90 x 4.75239680647192
+  1 settings made for x
+set atom $i y ${y0}
+set atom 90 y ${y0}
+set atom 90 y 8.22711012281474
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 38
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.17907547671348
+variable        y0 equal ${yi}
+variable        y0 equal 2.72399175139764
+
+set             atom $i x ${xnew}
+set             atom 38 x ${xnew}
+set             atom 38 x 9.13396360594779
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 38 y ${ynew}
+set             atom 38 y 2.69964367123941
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     472   -2.9871562  -0.88886353  -0.73311386 
+     473   -2.9871562  -0.88886353  -0.89031801 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.890318005719568
+variable naccept equal ${increment}
+variable naccept equal 176
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0309651374816895
+variable        y0 equal ${yi}
+variable        y0 equal 1.96139423034257
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x -0.0381707668304443
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 2.02808933637208
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     473   -2.9871562  -0.89031801  -0.89031801 
+     474   -2.9871562  -0.89031801  -0.85447669 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 21 x ${x0}
+set atom 21 x 0.0309651374816895
+  1 settings made for x
+set atom $i y ${y0}
+set atom 21 y ${y0}
+set atom 21 y 1.96139423034257
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 97
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.58716782489245
+variable        y0 equal ${yi}
+variable        y0 equal 7.40188271131778
+
+set             atom $i x ${xnew}
+set             atom 97 x ${xnew}
+set             atom 97 x 8.55186419644778
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 97 y ${ynew}
+set             atom 97 y 7.39371643390918
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     474   -2.9871562  -0.89031801  -0.85447669 
+     475   -2.9871562  -0.89031801  -0.86889161 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 97 x ${x0}
+set atom 97 x 8.58716782489245
+  1 settings made for x
+set atom $i y ${y0}
+set atom 97 y ${y0}
+set atom 97 y 7.40188271131778
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 38
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.13396360594779
+variable        y0 equal ${yi}
+variable        y0 equal 2.69964367123941
+
+set             atom $i x ${xnew}
+set             atom 38 x ${xnew}
+set             atom 38 x 9.23381229359656
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 38 y ${ynew}
+set             atom 38 y 2.76145812245706
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     475   -2.9871562  -0.89031801  -0.86889161 
+     476   -2.9871562  -0.89031801  -0.87623167 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 38 x ${x0}
+set atom 38 x 9.13396360594779
+  1 settings made for x
+set atom $i y ${y0}
+set atom 38 y ${y0}
+set atom 38 y 2.69964367123941
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.44501340229284
+variable        y0 equal ${yi}
+variable        y0 equal 0.0728780150413514
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.52416012127172
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y 0.163225507736206
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     476   -2.9871562  -0.89031801  -0.87623167 
+     477   -2.9871562  -0.89031801  -0.83351133 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 15 x ${x0}
+set atom 15 x 7.44501340229284
+  1 settings made for x
+set atom $i y ${y0}
+set atom 15 y ${y0}
+set atom 15 y 0.0728780150413514
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.17658477782765
+variable        y0 equal ${yi}
+variable        y0 equal 3.80986476702821
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.15053440093556
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.81802417798173
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     477   -2.9871562  -0.89031801  -0.83351133 
+     478   -2.9871562  -0.89031801  -0.87366868 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 47 x ${x0}
+set atom 47 x 3.17658477782765
+  1 settings made for x
+set atom $i y ${y0}
+set atom 47 y ${y0}
+set atom 47 y 3.80986476702821
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 67
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.28540751695195
+variable        y0 equal ${yi}
+variable        y0 equal 5.54694495146471
+
+set             atom $i x ${xnew}
+set             atom 67 x ${xnew}
+set             atom 67 x 3.23822855710545
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 67 y ${ynew}
+set             atom 67 y 5.53474653904634
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     478   -2.9871562  -0.89031801  -0.87366868 
+     479   -2.9871562  -0.89031801  -0.88572498 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 67 x ${x0}
+set atom 67 x 3.28540751695195
+  1 settings made for x
+set atom $i y ${y0}
+set atom 67 y ${y0}
+set atom 67 y 5.54694495146471
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.05527156868621
+variable        y0 equal ${yi}
+variable        y0 equal 4.53311400765344
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 7.10271323004409
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.45094821804925
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     479   -2.9871562  -0.89031801  -0.88572498 
+     480   -2.9871562  -0.89031801  -0.83719732 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.05527156868621
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.53311400765344
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.2623671062729
+variable        y0 equal ${yi}
+variable        y0 equal 1.85691285512513
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.33299971897813
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.87642453095979
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     480   -2.9871562  -0.89031801  -0.83719732 
+     481   -2.9871562  -0.89031801  -0.89699502 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.896995015424718
+variable naccept equal ${increment}
+variable naccept equal 177
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 67
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.28540751695195
+variable        y0 equal ${yi}
+variable        y0 equal 5.54694495146471
+
+set             atom $i x ${xnew}
+set             atom 67 x ${xnew}
+set             atom 67 x 3.3012590146021
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 67 y ${ynew}
+set             atom 67 y 5.54728171770769
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     481   -2.9871562  -0.89699502  -0.89699502 
+     482   -2.9871562  -0.89699502  -0.89726848 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.897268482996803
+variable naccept equal ${increment}
+variable naccept equal 178
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 87
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.19670169114628
+variable        y0 equal ${yi}
+variable        y0 equal 7.45894124832415
+
+set             atom $i x ${xnew}
+set             atom 87 x ${xnew}
+set             atom 87 x 3.28887386083164
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 87 y ${ynew}
+set             atom 87 y 7.48794988718295
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     482   -2.9871562  -0.89726848  -0.89726848 
+     483   -2.9871562  -0.89726848  -0.87607999 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 87 x ${x0}
+set atom 87 x 3.19670169114628
+  1 settings made for x
+set atom $i y ${y0}
+set atom 87 y ${y0}
+set atom 87 y 7.45894124832415
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.13253129164086
+variable        y0 equal ${yi}
+variable        y0 equal 3.65379038615358
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.22771677414284
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.74925063414705
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     483   -2.9871562  -0.89726848  -0.87607999 
+     484   -2.9871562  -0.89726848  -0.88577969 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 45 x ${x0}
+set atom 45 x 2.13253129164086
+  1 settings made for x
+set atom $i y ${y0}
+set atom 45 y ${y0}
+set atom 45 y 3.65379038615358
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.94675312637188
+variable        y0 equal ${yi}
+variable        y0 equal 0.975284381616443
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 7.96087540983059
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 1.01541907380852
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     484   -2.9871562  -0.89726848  -0.88577969 
+     485   -2.9871562  -0.89726848  -0.88119407 
+Loop time of 4.79221e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 16 x ${x0}
+set atom 16 x 7.94675312637188
+  1 settings made for x
+set atom $i y ${y0}
+set atom 16 y ${y0}
+set atom 16 y 0.975284381616443
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.49241850216161
+variable        y0 equal ${yi}
+variable        y0 equal 3.62302048964632
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.55287954647313
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.68441688580645
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     485   -2.9871562  -0.89726848  -0.88119407 
+     486   -2.9871562  -0.89726848   -0.8225804 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 55 x ${x0}
+set atom 55 x 7.49241850216161
+  1 settings made for x
+set atom $i y ${y0}
+set atom 55 y ${y0}
+set atom 55 y 3.62302048964632
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.13253129164086
+variable        y0 equal ${yi}
+variable        y0 equal 3.65379038615358
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.16361460129128
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.71165227456224
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     486   -2.9871562  -0.89726848   -0.8225804 
+     487   -2.9871562  -0.89726848  -0.91656709 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.916567088391419
+variable naccept equal ${increment}
+variable naccept equal 179
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6194513638668
+variable        y0 equal ${yi}
+variable        y0 equal 5.51495547239976
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x 10.6834881861858
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.59726129715638
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     487   -2.9871562  -0.91656709  -0.91656709 
+     488   -2.9871562  -0.91656709  -0.89446365 
+Loop time of 8.79765e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 61 x ${x0}
+set atom 61 x 10.6194513638668
+  1 settings made for x
+set atom $i y ${y0}
+set atom 61 y ${y0}
+set atom 61 y 5.51495547239976
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.44501340229284
+variable        y0 equal ${yi}
+variable        y0 equal 0.0728780150413514
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.51193849880468
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y 0.0850179195404054
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     488   -2.9871562  -0.91656709  -0.89446365 
+     489   -2.9871562  -0.91656709  -0.90717998 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 15 x ${x0}
+set atom 15 x 7.44501340229284
+  1 settings made for x
+set atom $i y ${y0}
+set atom 15 y ${y0}
+set atom 15 y 0.0728780150413514
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 78
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.1799755902961
+variable        y0 equal ${yi}
+variable        y0 equal 6.56346605555049
+
+set             atom $i x ${xnew}
+set             atom 78 x ${xnew}
+set             atom 78 x 9.23478496987374
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 78 y ${ynew}
+set             atom 78 y 6.49416983858577
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     489   -2.9871562  -0.91656709  -0.90717998 
+     490   -2.9871562  -0.91656709  -0.87964192 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 78 x ${x0}
+set atom 78 x 9.1799755902961
+  1 settings made for x
+set atom $i y ${y0}
+set atom 78 y ${y0}
+set atom 78 y 6.56346605555049
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 24
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.58777606367846
+variable        y0 equal ${yi}
+variable        y0 equal 2.84301091405252
+
+set             atom $i x ${xnew}
+set             atom 24 x ${xnew}
+set             atom 24 x 1.53418493151446
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 24 y ${ynew}
+set             atom 24 y 2.84258589717248
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     490   -2.9871562  -0.91656709  -0.87964192 
+     491   -2.9871562  -0.91656709  -0.87622614 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 24 x ${x0}
+set atom 24 x 1.58777606367846
+  1 settings made for x
+set atom $i y ${y0}
+set atom 24 y ${y0}
+set atom 24 y 2.84301091405252
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 8
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.64581083575373
+variable        y0 equal ${yi}
+variable        y0 equal 1.1294338900927
+
+set             atom $i x ${xnew}
+set             atom 8 x ${xnew}
+set             atom 8 x 3.71182399312144
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 8 y ${ynew}
+set             atom 8 y 1.11174833368096
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     491   -2.9871562  -0.91656709  -0.87622614 
+     492   -2.9871562  -0.91656709  -0.93991406 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.939914055610286
+variable naccept equal ${increment}
+variable naccept equal 180
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80888134757167
+variable        y0 equal ${yi}
+variable        y0 equal 2.87047326537469
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.81457791844493
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.9390703198562
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     492   -2.9871562  -0.93991406  -0.93991406 
+     493   -2.9871562  -0.93991406  -0.92351205 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.80888134757167
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.87047326537469
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.14124523719006
+variable        y0 equal ${yi}
+variable        y0 equal 7.51275172558093
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.23123144229107
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.42433375444674
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     493   -2.9871562  -0.93991406  -0.92351205 
+     494   -2.9871562  -0.93991406  -0.90577262 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.14124523719006
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.51275172558093
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.75239680647192
+variable        y0 equal ${yi}
+variable        y0 equal 8.22711012281474
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.69303737520514
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.23017823614177
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     494   -2.9871562  -0.93991406  -0.90577262 
+     495   -2.9871562  -0.93991406  -0.93576846 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 90 x ${x0}
+set atom 90 x 4.75239680647192
+  1 settings made for x
+set atom $i y ${y0}
+set atom 90 y ${y0}
+set atom 90 y 8.22711012281474
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.528223629394438
+variable        y0 equal ${yi}
+variable        y0 equal 1.0003870446566
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.609000296989348
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.984621043908919
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     495   -2.9871562  -0.93991406  -0.93576846 
+     496   -2.9871562  -0.93991406   -0.9639994 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.963999395410182
+variable naccept equal ${increment}
+variable naccept equal 181
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 9
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.31488733370514
+variable        y0 equal ${yi}
+variable        y0 equal 0.0164698362350535
+
+set             atom $i x ${xnew}
+set             atom 9 x ${xnew}
+set             atom 9 x 4.30661763031693
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 9 y ${ynew}
+set             atom 9 y -0.0829510688781667
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     496   -2.9871562   -0.9639994   -0.9639994 
+     497   -2.9871562   -0.9639994  -0.96260988 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 9 x ${x0}
+set atom 9 x 4.31488733370514
+  1 settings made for x
+set atom $i y ${y0}
+set atom 9 y ${y0}
+set atom 9 y 0.0164698362350535
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.18878640571939
+variable        y0 equal ${yi}
+variable        y0 equal 5.5354710811873
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.17021684090005
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.59528572504716
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     497   -2.9871562   -0.9639994  -0.96260988 
+     498   -2.9871562   -0.9639994  -0.95195437 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 65 x ${x0}
+set atom 65 x 2.18878640571939
+  1 settings made for x
+set atom $i y ${y0}
+set atom 65 y ${y0}
+set atom 65 y 5.5354710811873
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 75
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.43141517479192
+variable        y0 equal ${yi}
+variable        y0 equal 5.56478210632998
+
+set             atom $i x ${xnew}
+set             atom 75 x ${xnew}
+set             atom 75 x 7.51571308214437
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 75 y ${ynew}
+set             atom 75 y 5.64280260746676
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     498   -2.9871562   -0.9639994  -0.95195437 
+     499   -2.9871562   -0.9639994  -0.95291895 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 75 x ${x0}
+set atom 75 x 7.43141517479192
+  1 settings made for x
+set atom $i y ${y0}
+set atom 75 y ${y0}
+set atom 75 y 5.56478210632998
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 67
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.3012590146021
+variable        y0 equal ${yi}
+variable        y0 equal 5.54728171770769
+
+set             atom $i x ${xnew}
+set             atom 67 x ${xnew}
+set             atom 67 x 3.23520749568502
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 67 y ${ynew}
+set             atom 67 y 5.53982411568361
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     499   -2.9871562   -0.9639994  -0.95291895 
+     500   -2.9871562   -0.9639994  -0.95857915 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 67 x ${x0}
+set atom 67 x 3.3012590146021
+  1 settings made for x
+set atom $i y ${y0}
+set atom 67 y ${y0}
+set atom 67 y 5.54728171770769
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.03489085395328
+variable        y0 equal ${yi}
+variable        y0 equal 4.55223173254892
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 6.06574318368427
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.63367779606744
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     500   -2.9871562   -0.9639994  -0.95857915 
+     501   -2.9871562   -0.9639994    -0.932836 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 52 x ${x0}
+set atom 52 x 6.03489085395328
+  1 settings made for x
+set atom $i y ${y0}
+set atom 52 y ${y0}
+set atom 52 y 4.55223173254892
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.37933925469132
+variable        y0 equal ${yi}
+variable        y0 equal 5.58286277001101
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.30351765234681
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.67239878123003
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     501   -2.9871562   -0.9639994    -0.932836 
+     502   -2.9871562   -0.9639994  -0.95360525 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.37933925469132
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.58286277001101
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.65137007117053
+variable        y0 equal ${yi}
+variable        y0 equal 4.58490908497735
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.56707957863589
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.49000581854745
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     502   -2.9871562   -0.9639994  -0.95360525 
+     503   -2.9871562   -0.9639994  -0.93084143 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 44 x ${x0}
+set atom 44 x 1.65137007117053
+  1 settings made for x
+set atom $i y ${y0}
+set atom 44 y ${y0}
+set atom 44 y 4.58490908497735
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.2262481812498
+variable        y0 equal ${yi}
+variable        y0 equal 2.83032892915109
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.201530552294
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.91622455092767
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     503   -2.9871562   -0.9639994  -0.93084143 
+     504   -2.9871562   -0.9639994  -0.95018356 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.2262481812498
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.83032892915109
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0309651374816895
+variable        y0 equal ${yi}
+variable        y0 equal 1.96139423034257
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x 0.0538676500320435
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 1.89676245830125
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     504   -2.9871562   -0.9639994  -0.95018356 
+     505   -2.9871562   -0.9639994  -0.98671044 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.986710437088353
+variable naccept equal ${increment}
+variable naccept equal 182
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 30
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.85538826822578
+variable        y0 equal ${yi}
+variable        y0 equal 2.91704781028131
+
+set             atom $i x ${xnew}
+set             atom 30 x ${xnew}
+set             atom 30 x 4.83482123255073
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 30 y ${ynew}
+set             atom 30 y 2.90886334153512
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     505   -2.9871562  -0.98671044  -0.98671044 
+     506   -2.9871562  -0.98671044  -0.98721841 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -0.987218412835963
+variable naccept equal ${increment}
+variable naccept equal 183
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 81
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0324743509292791
+variable        y0 equal ${yi}
+variable        y0 equal 7.35604211416506
+
+set             atom $i x ${xnew}
+set             atom 81 x ${xnew}
+set             atom 81 x 0.0200411319732854
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 81 y ${ynew}
+set             atom 81 y 7.26692909326815
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     506   -2.9871562  -0.98721841  -0.98721841 
+     507   -2.9871562  -0.98721841  -0.78827279 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 81 x ${x0}
+set atom 81 x 0.0324743509292791
+  1 settings made for x
+set atom $i y ${y0}
+set atom 81 y ${y0}
+set atom 81 y 7.35604211416506
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 42
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.389929051795865
+variable        y0 equal ${yi}
+variable        y0 equal 4.66520722264215
+
+set             atom $i x ${xnew}
+set             atom 42 x ${xnew}
+set             atom 42 x 0.453980632224942
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 42 y ${ynew}
+set             atom 42 y 4.56575111502573
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     507   -2.9871562  -0.98721841  -0.78827279 
+     508   -2.9871562  -0.98721841  -0.97613202 
+Loop time of 5.00679e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 42 x ${x0}
+set atom 42 x 0.389929051795865
+  1 settings made for x
+set atom $i y ${y0}
+set atom 42 y ${y0}
+set atom 42 y 4.66520722264215
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.70367804964019
+variable        y0 equal ${yi}
+variable        y0 equal 0.934533329713668
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.62075852354003
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 0.885039313543166
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     508   -2.9871562  -0.98721841  -0.97613202 
+     509   -2.9871562  -0.98721841  -0.98324775 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 6 x ${x0}
+set atom 6 x 2.70367804964019
+  1 settings made for x
+set atom $i y ${y0}
+set atom 6 y ${y0}
+set atom 6 y 0.934533329713668
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 73
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.42834627150613
+variable        y0 equal ${yi}
+variable        y0 equal 5.4691439980765
+
+set             atom $i x ${xnew}
+set             atom 73 x ${xnew}
+set             atom 73 x 6.33605608462411
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 73 y ${ynew}
+set             atom 73 y 5.51777298395831
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     509   -2.9871562  -0.98721841  -0.98324775 
+     510   -2.9871562  -0.98721841   -0.9309481 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 73 x ${x0}
+set atom 73 x 6.42834627150613
+  1 settings made for x
+set atom $i y ${y0}
+set atom 73 y ${y0}
+set atom 73 y 5.4691439980765
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 81
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0324743509292791
+variable        y0 equal ${yi}
+variable        y0 equal 7.35604211416506
+
+set             atom $i x ${xnew}
+set             atom 81 x ${xnew}
+set             atom 81 x 0.0322040319442937
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 81 y ${ynew}
+set             atom 81 y 7.38692112293505
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     510   -2.9871562  -0.98721841   -0.9309481 
+     511   -2.9871562  -0.98721841   -1.0056265 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.00562648061524
+variable naccept equal ${increment}
+variable naccept equal 184
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 97
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.58716782489245
+variable        y0 equal ${yi}
+variable        y0 equal 7.40188271131778
+
+set             atom $i x ${xnew}
+set             atom 97 x ${xnew}
+set             atom 97 x 8.64328949609225
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 97 y ${ynew}
+set             atom 97 y 7.40728055563236
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     511   -2.9871562   -1.0056265   -1.0056265 
+     512   -2.9871562   -1.0056265   -1.0232675 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.02326748475135
+variable naccept equal ${increment}
+variable naccept equal 185
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.97641189375564
+variable        y0 equal ${yi}
+variable        y0 equal 2.79607654782632
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 7.01354279795333
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.75407738658288
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     512   -2.9871562   -1.0232675   -1.0232675 
+     513   -2.9871562   -1.0232675  -0.97235281 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 34 x ${x0}
+set atom 34 x 6.97641189375564
+  1 settings made for x
+set atom $i y ${y0}
+set atom 34 y ${y0}
+set atom 34 y 2.79607654782632
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.03489085395328
+variable        y0 equal ${yi}
+variable        y0 equal 4.55223173254892
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 6.12476801831714
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.5479519760029
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     513   -2.9871562   -1.0232675  -0.97235281 
+     514   -2.9871562   -1.0232675   -0.9733093 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 52 x ${x0}
+set atom 52 x 6.03489085395328
+  1 settings made for x
+set atom $i y ${y0}
+set atom 52 y ${y0}
+set atom 52 y 4.55223173254892
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.94675312637188
+variable        y0 equal ${yi}
+variable        y0 equal 0.975284381616443
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 7.89360781310894
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 0.970815511453479
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     514   -2.9871562   -1.0232675   -0.9733093 
+     515   -2.9871562   -1.0232675   -1.0238261 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.02382614480157
+variable naccept equal ${increment}
+variable naccept equal 186
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.11236243842937
+variable        y0 equal ${yi}
+variable        y0 equal 8.24853718198832
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.16749274133541
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.34748827137049
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     515   -2.9871562   -1.0238261   -1.0238261 
+     516   -2.9871562   -1.0238261  -0.95167848 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.11236243842937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.24853718198832
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.69907911896487
+variable        y0 equal ${yi}
+variable        y0 equal 6.46656938330165
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.73431064963122
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.40972129837504
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     516   -2.9871562   -1.0238261  -0.95167848 
+     517   -2.9871562   -1.0238261   -1.0061933 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.69907911896487
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.46656938330165
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 66
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.71809613902999
+variable        y0 equal ${yi}
+variable        y0 equal 6.45324923531046
+
+set             atom $i x ${xnew}
+set             atom 66 x ${xnew}
+set             atom 66 x 2.78488953311874
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 66 y ${ynew}
+set             atom 66 y 6.49416505829325
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     517   -2.9871562   -1.0238261   -1.0061933 
+     518   -2.9871562   -1.0238261   -1.0277688 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.02776876335561
+variable naccept equal ${increment}
+variable naccept equal 187
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.74200649777537
+variable        y0 equal ${yi}
+variable        y0 equal 8.32967373050746
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.69423400679713
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.37340822137889
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     518   -2.9871562   -1.0277688   -1.0277688 
+     519   -2.9871562   -1.0277688  -0.97298252 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.74200649777537
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.32967373050746
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 99
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.8102262306082
+variable        y0 equal ${yi}
+variable        y0 equal 7.35523183670306
+
+set             atom $i x ${xnew}
+set             atom 99 x ${xnew}
+set             atom 99 x 9.79539506910918
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 99 y ${ynew}
+set             atom 99 y 7.31491797294879
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     519   -2.9871562   -1.0277688  -0.97298252 
+     520   -2.9871562   -1.0277688   -1.0338351 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.03383507967303
+variable naccept equal ${increment}
+variable naccept equal 188
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 43
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.03878695090466
+variable        y0 equal ${yi}
+variable        y0 equal 3.69885422749651
+
+set             atom $i x ${xnew}
+set             atom 43 x ${xnew}
+set             atom 43 x 1.05503968318158
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 43 y ${ynew}
+set             atom 43 y 3.70494679970873
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     520   -2.9871562   -1.0338351   -1.0338351 
+     521   -2.9871562   -1.0338351   -1.0336409 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.03364089763611
+variable naccept equal ${increment}
+variable naccept equal 189
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.97641189375564
+variable        y0 equal ${yi}
+variable        y0 equal 2.79607654782632
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 7.03693694153472
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.80541259023049
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     521   -2.9871562   -1.0336409   -1.0336409 
+     522   -2.9871562   -1.0336409  -0.99916001 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 34 x ${x0}
+set atom 34 x 6.97641189375564
+  1 settings made for x
+set atom $i y ${y0}
+set atom 34 y ${y0}
+set atom 34 y 2.79607654782632
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 42
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.389929051795865
+variable        y0 equal ${yi}
+variable        y0 equal 4.66520722264215
+
+set             atom $i x ${xnew}
+set             atom 42 x ${xnew}
+set             atom 42 x 0.452082355419064
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 42 y ${ynew}
+set             atom 42 y 4.6216128265278
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     522   -2.9871562   -1.0336409  -0.99916001 
+     523   -2.9871562   -1.0336409   -1.0463628 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.04636276339571
+variable naccept equal ${increment}
+variable naccept equal 190
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.4842599514982
+variable        y0 equal ${yi}
+variable        y0 equal 6.47453133598796
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.4157506708166
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.43439372316829
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     523   -2.9871562   -1.0463628   -1.0463628 
+     524   -2.9871562   -1.0463628   -1.0723561 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.07235605530644
+variable naccept equal ${increment}
+variable naccept equal 191
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.30100279251004
+variable        y0 equal ${yi}
+variable        y0 equal 7.47468527879977
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.29530951181317
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.46676344003939
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     524   -2.9871562   -1.0723561   -1.0723561 
+     525   -2.9871562   -1.0723561   -1.0678198 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 91 x ${x0}
+set atom 91 x 5.30100279251004
+  1 settings made for x
+set atom $i y ${y0}
+set atom 91 y ${y0}
+set atom 91 y 7.47468527879977
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.43885856071379
+variable        y0 equal ${yi}
+variable        y0 equal 5.558475553443
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.49106645980742
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.52063305323319
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     525   -2.9871562   -1.0723561   -1.0678198 
+     526   -2.9871562   -1.0723561   -1.0502957 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 71 x ${x0}
+set atom 71 x 5.43885856071379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 71 y ${y0}
+set atom 71 y 5.558475553443
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.69588495691252
+variable        y0 equal ${yi}
+variable        y0 equal 4.61304315680429
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.74000067909193
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.67914612645074
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     526   -2.9871562   -1.0723561   -1.0502957 
+     527   -2.9871562   -1.0723561   -1.0885874 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.08858738769647
+variable naccept equal ${increment}
+variable naccept equal 192
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 56
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.0944710194955
+variable        y0 equal ${yi}
+variable        y0 equal 4.65609761828349
+
+set             atom $i x ${xnew}
+set             atom 56 x ${xnew}
+set             atom 56 x 8.0131996929536
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 56 y ${ynew}
+set             atom 56 y 4.75257790440486
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     527   -2.9871562   -1.0885874   -1.0885874 
+     528   -2.9871562   -1.0885874   -1.0638265 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 56 x ${x0}
+set atom 56 x 8.0944710194955
+  1 settings made for x
+set atom $i y ${y0}
+set atom 56 y ${y0}
+set atom 56 y 4.65609761828349
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 32
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.90086858232013
+variable        y0 equal ${yi}
+variable        y0 equal 2.85332814427712
+
+set             atom $i x ${xnew}
+set             atom 32 x ${xnew}
+set             atom 32 x 5.96917489726535
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 32 y ${ynew}
+set             atom 32 y 2.94184854003289
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     528   -2.9871562   -1.0885874   -1.0638265 
+     529   -2.9871562   -1.0885874  -0.90647361 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 32 x ${x0}
+set atom 32 x 5.90086858232013
+  1 settings made for x
+set atom $i y ${y0}
+set atom 32 y ${y0}
+set atom 32 y 2.85332814427712
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.30100279251004
+variable        y0 equal ${yi}
+variable        y0 equal 7.47468527879977
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.23131274381543
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.5164034875896
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     529   -2.9871562   -1.0885874  -0.90647361 
+     530   -2.9871562   -1.0885874  -0.86951856 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 91 x ${x0}
+set atom 91 x 5.30100279251004
+  1 settings made for x
+set atom $i y ${y0}
+set atom 91 y ${y0}
+set atom 91 y 7.47468527879977
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 12
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.89277292449466
+variable        y0 equal ${yi}
+variable        y0 equal 0.861734314668505
+
+set             atom $i x ${xnew}
+set             atom 12 x ${xnew}
+set             atom 12 x 5.92459598739139
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 12 y ${ynew}
+set             atom 12 y 0.868917449224322
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     530   -2.9871562   -1.0885874  -0.86951856 
+     531   -2.9871562   -1.0885874   -1.0822055 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 12 x ${x0}
+set atom 12 x 5.89277292449466
+  1 settings made for x
+set atom $i y ${y0}
+set atom 12 y ${y0}
+set atom 12 y 0.861734314668505
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.35647287765409
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y 0.0709162235259985
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     531   -2.9871562   -1.0885874   -1.0822055 
+     532   -2.9871562   -1.0885874   -1.0567824 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 3
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.887986353236964
+variable        y0 equal ${yi}
+variable        y0 equal 9.30461881864398
+
+set             atom $i x ${xnew}
+set             atom 3 x ${xnew}
+set             atom 3 x 0.926390245754054
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 3 y ${ynew}
+set             atom 3 y 9.23904097783893
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     532   -2.9871562   -1.0885874   -1.0567824 
+     533   -2.9871562   -1.0885874   -1.1357873 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.13578732430946
+variable naccept equal ${increment}
+variable naccept equal 193
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 68
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.84334465781337
+variable        y0 equal ${yi}
+variable        y0 equal 6.64102999702921
+
+set             atom $i x ${xnew}
+set             atom 68 x ${xnew}
+set             atom 68 x 3.80639883795863
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 68 y ${ynew}
+set             atom 68 y 6.64886432425013
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     533   -2.9871562   -1.1357873   -1.1357873 
+     534   -2.9871562   -1.1357873   -1.1603418 
+Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.16034183744779
+variable naccept equal ${increment}
+variable naccept equal 194
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.14132251460106
+variable        y0 equal ${yi}
+variable        y0 equal 4.91687022799417
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 9.07356384713203
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.91288957947656
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     534   -2.9871562   -1.1603418   -1.1603418 
+     535   -2.9871562   -1.1603418   -1.1542354 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 58 x ${x0}
+set atom 58 x 9.14132251460106
+  1 settings made for x
+set atom $i y ${y0}
+set atom 58 y ${y0}
+set atom 58 y 4.91687022799417
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.83310471732608
+variable        y0 equal ${yi}
+variable        y0 equal 8.3484317771345
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.78838685710422
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.40297114767131
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     535   -2.9871562   -1.1603418   -1.1542354 
+     536   -2.9871562   -1.1603418   -1.1560379 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 92 x ${x0}
+set atom 92 x 5.83310471732608
+  1 settings made for x
+set atom $i y ${y0}
+set atom 92 y ${y0}
+set atom 92 y 8.3484317771345
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.70367804964019
+variable        y0 equal ${yi}
+variable        y0 equal 0.934533329713668
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.6697051664157
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 0.985170360315169
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     536   -2.9871562   -1.1603418   -1.1560379 
+     537   -2.9871562   -1.1603418   -1.1655055 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.1655054836766
+variable naccept equal ${increment}
+variable naccept equal 195
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 98
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.1440482588485
+variable        y0 equal ${yi}
+variable        y0 equal 8.36340260423716
+
+set             atom $i x ${xnew}
+set             atom 98 x ${xnew}
+set             atom 98 x 9.16308992821724
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 98 y ${ynew}
+set             atom 98 y 8.28462620891627
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     537   -2.9871562   -1.1655055   -1.1655055 
+     538   -2.9871562   -1.1655055    -1.171623 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.17162303161698
+variable naccept equal ${increment}
+variable naccept equal 196
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.39214122374269
+variable        y0 equal ${yi}
+variable        y0 equal 7.32321853962206
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.32937240679475
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.25091127481722
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     538   -2.9871562    -1.171623    -1.171623 
+     539   -2.9871562    -1.171623  -0.84968246 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 89 x ${x0}
+set atom 89 x 4.39214122374269
+  1 settings made for x
+set atom $i y ${y0}
+set atom 89 y ${y0}
+set atom 89 y 7.32321853962206
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.30100279251004
+variable        y0 equal ${yi}
+variable        y0 equal 7.47468527879977
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.26238644519711
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.56174433555865
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     539   -2.9871562    -1.171623  -0.84968246 
+     540   -2.9871562    -1.171623   -0.9574977 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 91 x ${x0}
+set atom 91 x 5.30100279251004
+  1 settings made for x
+set atom $i y ${y0}
+set atom 91 y ${y0}
+set atom 91 y 7.47468527879977
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6194513638668
+variable        y0 equal ${yi}
+variable        y0 equal 5.51495547239976
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x 10.5860912402325
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.57869628613191
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     540   -2.9871562    -1.171623   -0.9574977 
+     541   -2.9871562    -1.171623   -1.0278727 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 61 x ${x0}
+set atom 61 x 10.6194513638668
+  1 settings made for x
+set atom $i y ${y0}
+set atom 61 y ${y0}
+set atom 61 y 5.51495547239976
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.37933925469132
+variable        y0 equal ${yi}
+variable        y0 equal 5.58286277001101
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.3256844647667
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.58211661522585
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     541   -2.9871562    -1.171623   -1.0278727 
+     542   -2.9871562    -1.171623   -1.1696314 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.37933925469132
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.58286277001101
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.17658477782765
+variable        y0 equal ${yi}
+variable        y0 equal 3.80986476702821
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.25292225837269
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.7410068945421
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     542   -2.9871562    -1.171623   -1.1696314 
+     543   -2.9871562    -1.171623   -1.1846356 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.18463562648629
+variable naccept equal ${increment}
+variable naccept equal 197
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 62
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.670342476764585
+variable        y0 equal ${yi}
+variable        y0 equal 6.59568084017267
+
+set             atom $i x ${xnew}
+set             atom 62 x ${xnew}
+set             atom 62 x 0.576297290721799
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 62 y ${ynew}
+set             atom 62 y 6.5338054491662
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     543   -2.9871562   -1.1846356   -1.1846356 
+     544   -2.9871562   -1.1846356   -1.1389109 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 62 x ${x0}
+set atom 62 x 0.670342476764585
+  1 settings made for x
+set atom $i y ${y0}
+set atom 62 y ${y0}
+set atom 62 y 6.59568084017267
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 27
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.19226642608205
+variable        y0 equal ${yi}
+variable        y0 equal 1.99900682351654
+
+set             atom $i x ${xnew}
+set             atom 27 x ${xnew}
+set             atom 27 x 3.13793087958852
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 27 y ${ynew}
+set             atom 27 y 1.96995517394607
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     544   -2.9871562   -1.1846356   -1.1389109 
+     545   -2.9871562   -1.1846356   -1.1728923 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 27 x ${x0}
+set atom 27 x 3.19226642608205
+  1 settings made for x
+set atom $i y ${y0}
+set atom 27 y ${y0}
+set atom 27 y 1.99900682351654
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.14124523719006
+variable        y0 equal ${yi}
+variable        y0 equal 7.51275172558093
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.14655829985791
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.47608772840762
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     545   -2.9871562   -1.1846356   -1.1728923 
+     546   -2.9871562   -1.1846356   -1.1882644 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.18826444924548
+variable naccept equal ${increment}
+variable naccept equal 198
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 99
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.79539506910918
+variable        y0 equal ${yi}
+variable        y0 equal 7.31491797294879
+
+set             atom $i x ${xnew}
+set             atom 99 x ${xnew}
+set             atom 99 x 9.83479673145888
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 99 y ${ynew}
+set             atom 99 y 7.36937834348941
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     546   -2.9871562   -1.1882644   -1.1882644 
+     547   -2.9871562   -1.1882644   -1.1612136 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 99 x ${x0}
+set atom 99 x 9.79539506910918
+  1 settings made for x
+set atom $i y ${y0}
+set atom 99 y ${y0}
+set atom 99 y 7.31491797294879
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.43885856071379
+variable        y0 equal ${yi}
+variable        y0 equal 5.558475553443
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.38540015617277
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.61200227682786
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     547   -2.9871562   -1.1882644   -1.1612136 
+     548   -2.9871562   -1.1882644    -1.179579 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 71 x ${x0}
+set atom 71 x 5.43885856071379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 71 y ${y0}
+set atom 71 y 5.558475553443
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 43
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.05503968318158
+variable        y0 equal ${yi}
+variable        y0 equal 3.70494679970873
+
+set             atom $i x ${xnew}
+set             atom 43 x ${xnew}
+set             atom 43 x 1.05746106227094
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 43 y ${ynew}
+set             atom 43 y 3.70282073779238
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     548   -2.9871562   -1.1882644    -1.179579 
+     549   -2.9871562   -1.1882644   -1.1878594 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 43 x ${x0}
+set atom 43 x 1.05503968318158
+  1 settings made for x
+set atom $i y ${y0}
+set atom 43 y ${y0}
+set atom 43 y 3.70494679970873
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 97
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.64328949609225
+variable        y0 equal ${yi}
+variable        y0 equal 7.40728055563236
+
+set             atom $i x ${xnew}
+set             atom 97 x ${xnew}
+set             atom 97 x 8.63165215411608
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 97 y ${ynew}
+set             atom 97 y 7.4836135896709
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     549   -2.9871562   -1.1882644   -1.1878594 
+     550   -2.9871562   -1.1882644   -1.1533465 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 97 x ${x0}
+set atom 97 x 8.64328949609225
+  1 settings made for x
+set atom $i y ${y0}
+set atom 97 y ${y0}
+set atom 97 y 7.40728055563236
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.50235789218808
+variable        y0 equal ${yi}
+variable        y0 equal 3.73372400565278
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.45611415305997
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.81623291535508
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     550   -2.9871562   -1.1882644   -1.1533465 
+     551   -2.9871562   -1.1882644   -1.0631308 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 51 x ${x0}
+set atom 51 x 5.50235789218808
+  1 settings made for x
+set atom $i y ${y0}
+set atom 51 y ${y0}
+set atom 51 y 3.73372400565278
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 49
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.25381002505036
+variable        y0 equal ${yi}
+variable        y0 equal 3.80343433184755
+
+set             atom $i x ${xnew}
+set             atom 49 x ${xnew}
+set             atom 49 x 4.29856565077515
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 49 y ${ynew}
+set             atom 49 y 3.75675644440782
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     551   -2.9871562   -1.1882644   -1.0631308 
+     552   -2.9871562   -1.1882644   -1.2537413 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.25374129016093
+variable naccept equal ${increment}
+variable naccept equal 199
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 74
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.1464075712268
+variable        y0 equal ${yi}
+variable        y0 equal 6.56554357544413
+
+set             atom $i x ${xnew}
+set             atom 74 x ${xnew}
+set             atom 74 x 7.19690846481964
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 74 y ${ynew}
+set             atom 74 y 6.5210548831605
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     552   -2.9871562   -1.2537413   -1.2537413 
+     553   -2.9871562   -1.2537413   -1.2257889 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 74 x ${x0}
+set atom 74 x 7.1464075712268
+  1 settings made for x
+set atom $i y ${y0}
+set atom 74 y ${y0}
+set atom 74 y 6.56554357544413
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.95588066298515
+variable        y0 equal ${yi}
+variable        y0 equal 0.958170147645798
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 8.86607733685524
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 0.979833896863785
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     553   -2.9871562   -1.2537413   -1.2257889 
+     554   -2.9871562   -1.2537413   -1.2007187 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 18 x ${x0}
+set atom 18 x 8.95588066298515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 18 y ${y0}
+set atom 18 y 0.958170147645798
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.25292225837269
+variable        y0 equal ${yi}
+variable        y0 equal 3.7410068945421
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.28529538869419
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.75018524689806
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     554   -2.9871562   -1.2537413   -1.2007187 
+     555   -2.9871562   -1.2537413   -1.2401067 
+Loop time of 6.10352e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 47 x ${x0}
+set atom 47 x 3.25292225837269
+  1 settings made for x
+set atom $i y ${y0}
+set atom 47 y ${y0}
+set atom 47 y 3.7410068945421
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.69907911896487
+variable        y0 equal ${yi}
+variable        y0 equal 6.46656938330165
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.70111999392291
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.45056509510509
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     555   -2.9871562   -1.2537413   -1.2401067 
+     556   -2.9871562   -1.2537413   -1.2528973 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.25289727552546
+variable naccept equal ${increment}
+variable naccept equal 200
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 68
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80639883795863
+variable        y0 equal ${yi}
+variable        y0 equal 6.64886432425013
+
+set             atom $i x ${xnew}
+set             atom 68 x ${xnew}
+set             atom 68 x 3.86946899214869
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 68 y ${ynew}
+set             atom 68 y 6.6192339970254
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     556   -2.9871562   -1.2528973   -1.2528973 
+     557   -2.9871562   -1.2528973   -1.2342341 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 68 x ${x0}
+set atom 68 x 3.80639883795863
+  1 settings made for x
+set atom $i y ${y0}
+set atom 68 y ${y0}
+set atom 68 y 6.64886432425013
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.50696252742235
+variable        y0 equal ${yi}
+variable        y0 equal 5.69319788162904
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.52077838340227
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.77947589104371
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     557   -2.9871562   -1.2528973   -1.2342341 
+     558   -2.9871562   -1.2528973   -1.1743537 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 77 x ${x0}
+set atom 77 x 8.50696252742235
+  1 settings made for x
+set atom $i y ${y0}
+set atom 77 y ${y0}
+set atom 77 y 5.69319788162904
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.31983832835275
+variable        y0 equal ${yi}
+variable        y0 equal 9.28122769105762
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.24646600007135
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y 9.29231714713901
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     558   -2.9871562   -1.2528973   -1.1743537 
+     559   -2.9871562   -1.2528973   -1.1973995 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 13 x ${x0}
+set atom 13 x 6.31983832835275
+  1 settings made for x
+set atom $i y ${y0}
+set atom 13 y ${y0}
+set atom 13 y 9.28122769105762
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0538676500320435
+variable        y0 equal ${yi}
+variable        y0 equal 1.89676245830125
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x -0.00926936864852902
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 1.95804303071565
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     559   -2.9871562   -1.2528973   -1.1973995 
+     560   -2.9871562   -1.2528973    -1.244401 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 21 x ${x0}
+set atom 21 x 0.0538676500320435
+  1 settings made for x
+set atom $i y ${y0}
+set atom 21 y ${y0}
+set atom 21 y 1.89676245830125
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.15771750847207
+variable        y0 equal ${yi}
+variable        y0 equal 7.45649659958148
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.15963261762963
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.49809441890979
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     560   -2.9871562   -1.2528973    -1.244401 
+     561   -2.9871562   -1.2528973   -1.2490862 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.15771750847207
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.45649659958148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 26
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.64777944286299
+variable        y0 equal ${yi}
+variable        y0 equal 2.8657853600631
+
+set             atom $i x ${xnew}
+set             atom 26 x ${xnew}
+set             atom 26 x 2.66067210634184
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 26 y ${ynew}
+set             atom 26 y 2.84075683328011
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     561   -2.9871562   -1.2528973   -1.2490862 
+     562   -2.9871562   -1.2528973   -1.2550377 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.25503765055882
+variable naccept equal ${increment}
+variable naccept equal 201
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.49241850216161
+variable        y0 equal ${yi}
+variable        y0 equal 3.62302048964632
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.53355492193471
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.57107198996675
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     562   -2.9871562   -1.2550377   -1.2550377 
+     563   -2.9871562   -1.2550377   -1.2016104 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 55 x ${x0}
+set atom 55 x 7.49241850216161
+  1 settings made for x
+set atom $i y ${y0}
+set atom 55 y ${y0}
+set atom 55 y 3.62302048964632
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0538676500320435
+variable        y0 equal ${yi}
+variable        y0 equal 1.89676245830125
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x 0.095151686668396
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 1.81934415481156
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     563   -2.9871562   -1.2550377   -1.2016104 
+     564   -2.9871562   -1.2550377   -1.2469243 
+Loop time of 8.39233e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 21 x ${x0}
+set atom 21 x 0.0538676500320435
+  1 settings made for x
+set atom $i y ${y0}
+set atom 21 y ${y0}
+set atom 21 y 1.89676245830125
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.75239680647192
+variable        y0 equal ${yi}
+variable        y0 equal 8.22711012281474
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.7991147720748
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.1301974765211
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     564   -2.9871562   -1.2550377   -1.2469243 
+     565   -2.9871562   -1.2550377  -0.96349111 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 90 x ${x0}
+set atom 90 x 4.75239680647192
+  1 settings made for x
+set atom $i y ${y0}
+set atom 90 y ${y0}
+set atom 90 y 8.22711012281474
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 98
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.16308992821724
+variable        y0 equal ${yi}
+variable        y0 equal 8.28462620891627
+
+set             atom $i x ${xnew}
+set             atom 98 x ${xnew}
+set             atom 98 x 9.12704094368965
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 98 y ${ynew}
+set             atom 98 y 8.33986731685694
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     565   -2.9871562   -1.2550377  -0.96349111 
+     566   -2.9871562   -1.2550377   -1.2499595 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 98 x ${x0}
+set atom 98 x 9.16308992821724
+  1 settings made for x
+set atom $i y ${y0}
+set atom 98 y ${y0}
+set atom 98 y 8.28462620891627
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.2262481812498
+variable        y0 equal ${yi}
+variable        y0 equal 2.83032892915109
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.1877183679602
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.75864233943323
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     566   -2.9871562   -1.2550377   -1.2499595 
+     567   -2.9871562   -1.2550377   -1.2548292 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.2262481812498
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.83032892915109
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.9486086213523
+variable        y0 equal ${yi}
+variable        y0 equal 6.50839406982889
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.87151443599998
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.51532517210474
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     567   -2.9871562   -1.2550377   -1.2548292 
+     568   -2.9871562   -1.2550377   -1.2376372 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 4.9486086213523
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.50839406982889
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.54351456640837
+variable        y0 equal ${yi}
+variable        y0 equal 3.68936000628603
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.57312260149595
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.59592626853121
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     568   -2.9871562   -1.2550377   -1.2376372 
+     569   -2.9871562   -1.2550377   -1.2397305 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 59 x ${x0}
+set atom 59 x 9.54351456640837
+  1 settings made for x
+set atom $i y ${y0}
+set atom 59 y ${y0}
+set atom 59 y 3.68936000628603
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.89360781310894
+variable        y0 equal ${yi}
+variable        y0 equal 0.970815511453479
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 7.85064032672741
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 0.992341895807117
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     569   -2.9871562   -1.2550377   -1.2397305 
+     570   -2.9871562   -1.2550377   -1.2408238 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 16 x ${x0}
+set atom 16 x 7.89360781310894
+  1 settings made for x
+set atom $i y ${y0}
+set atom 16 y ${y0}
+set atom 16 y 0.970815511453479
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.74200649777537
+variable        y0 equal ${yi}
+variable        y0 equal 8.32967373050746
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.81409508505946
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.41906071819362
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     570   -2.9871562   -1.2550377   -1.2408238 
+     571   -2.9871562   -1.2550377   -1.2626915 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.26269149152748
+variable naccept equal ${increment}
+variable naccept equal 202
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.49241850216161
+variable        y0 equal ${yi}
+variable        y0 equal 3.62302048964632
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.55629055340062
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.57657450003756
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     571   -2.9871562   -1.2626915   -1.2626915 
+     572   -2.9871562   -1.2626915   -1.1697816 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 55 x ${x0}
+set atom 55 x 7.49241850216161
+  1 settings made for x
+set atom $i y ${y0}
+set atom 55 y ${y0}
+set atom 55 y 3.62302048964632
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.636496813693905
+variable        y0 equal ${yi}
+variable        y0 equal 2.67731568786004
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.668525441089535
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.65698702308038
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     572   -2.9871562   -1.2626915   -1.1697816 
+     573   -2.9871562   -1.2626915   -1.2342241 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.636496813693905
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.67731568786004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 86
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.8117458124919
+variable        y0 equal ${yi}
+variable        y0 equal 8.46798524774608
+
+set             atom $i x ${xnew}
+set             atom 86 x ${xnew}
+set             atom 86 x 2.80131718118621
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 86 y ${ynew}
+set             atom 86 y 8.54258154548702
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     573   -2.9871562   -1.2626915   -1.2342241 
+     574   -2.9871562   -1.2626915   -1.1819906 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 86 x ${x0}
+set atom 86 x 2.8117458124919
+  1 settings made for x
+set atom $i y ${y0}
+set atom 86 y ${y0}
+set atom 86 y 8.46798524774608
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.6895772715373
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.71277494782373
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     574   -2.9871562   -1.2626915   -1.1819906 
+     575   -2.9871562   -1.2626915   -1.2464354 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.83226965864134
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.6243641650097
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     575   -2.9871562   -1.2626915   -1.2464354 
+     576   -2.9871562   -1.2626915   -1.2348488 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 87
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.19670169114628
+variable        y0 equal ${yi}
+variable        y0 equal 7.45894124832415
+
+set             atom $i x ${xnew}
+set             atom 87 x ${xnew}
+set             atom 87 x 3.25831706285038
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 87 y ${ynew}
+set             atom 87 y 7.46091093149447
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     576   -2.9871562   -1.2626915   -1.2348488 
+     577   -2.9871562   -1.2626915   -1.2605495 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 87 x ${x0}
+set atom 87 x 3.19670169114628
+  1 settings made for x
+set atom $i y ${y0}
+set atom 87 y ${y0}
+set atom 87 y 7.45894124832415
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.25292225837269
+variable        y0 equal ${yi}
+variable        y0 equal 3.7410068945421
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.24420675992527
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.73567457957399
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     577   -2.9871562   -1.2626915   -1.2605495 
+     578   -2.9871562   -1.2626915   -1.2654105 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.2654105168996
+variable naccept equal ${increment}
+variable naccept equal 203
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.7421086748295
+variable        y0 equal ${yi}
+variable        y0 equal 0.0381360530853272
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x 10.6441186865025
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y -0.0446481108665466
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     578   -2.9871562   -1.2654105   -1.2654105 
+     579   -2.9871562   -1.2654105    -1.329935 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.32993497581692
+variable naccept equal ${increment}
+variable naccept equal 204
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 93
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.38658518313486
+variable        y0 equal ${yi}
+variable        y0 equal 7.46601674881243
+
+set             atom $i x ${xnew}
+set             atom 93 x ${xnew}
+set             atom 93 x 6.39550770043451
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 93 y ${ynew}
+set             atom 93 y 7.38732918825411
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     579   -2.9871562    -1.329935    -1.329935 
+     580   -2.9871562    -1.329935   -1.2619596 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 93 x ${x0}
+set atom 93 x 6.38658518313486
+  1 settings made for x
+set atom $i y ${y0}
+set atom 93 y ${y0}
+set atom 93 y 7.46601674881243
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.50696252742235
+variable        y0 equal ${yi}
+variable        y0 equal 5.69319788162904
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.43240578332369
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.72700328772264
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     580   -2.9871562    -1.329935   -1.2619596 
+     581   -2.9871562    -1.329935   -1.2729951 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 77 x ${x0}
+set atom 77 x 8.50696252742235
+  1 settings made for x
+set atom $i y ${y0}
+set atom 77 y ${y0}
+set atom 77 y 5.69319788162904
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.419449497847
+variable        y0 equal ${yi}
+variable        y0 equal 3.62166059775483
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.49239535489503
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.71645880503785
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     581   -2.9871562    -1.329935   -1.2729951 
+     582   -2.9871562    -1.329935   -1.3581576 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.35815762308786
+variable naccept equal ${increment}
+variable naccept equal 205
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 100
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1610254410764
+variable        y0 equal ${yi}
+variable        y0 equal 8.2609955064207
+
+set             atom $i x ${xnew}
+set             atom 100 x ${xnew}
+set             atom 100 x 10.1694799665471
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 100 y ${ynew}
+set             atom 100 y 8.22209194816646
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     582   -2.9871562   -1.3581576   -1.3581576 
+     583   -2.9871562   -1.3581576   -1.3477163 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 100 x ${x0}
+set atom 100 x 10.1610254410764
+  1 settings made for x
+set atom $i y ${y0}
+set atom 100 y ${y0}
+set atom 100 y 8.2609955064207
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 81
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0322040319442937
+variable        y0 equal ${yi}
+variable        y0 equal 7.38692112293505
+
+set             atom $i x ${xnew}
+set             atom 81 x ${xnew}
+set             atom 81 x 0.0298782348633
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 81 y ${ynew}
+set             atom 81 y 7.42559107866549
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     583   -2.9871562   -1.3581576   -1.3477163 
+     584   -2.9871562   -1.3581576   -1.3522015 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 81 x ${x0}
+set atom 81 x 0.0322040319442937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 81 y ${y0}
+set atom 81 y 7.38692112293505
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.15834543148385
+variable        y0 equal ${yi}
+variable        y0 equal 1.95142827413148
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.13842718044625
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.85985663316316
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     584   -2.9871562   -1.3581576   -1.3522015 
+     585   -2.9871562   -1.3581576   -1.3558187 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.15834543148385
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.95142827413148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.30100279251004
+variable        y0 equal ${yi}
+variable        y0 equal 7.47468527879977
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.24745409885312
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.41848703947329
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     585   -2.9871562   -1.3581576   -1.3558187 
+     586   -2.9871562   -1.3581576   -1.2531733 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 91 x ${x0}
+set atom 91 x 5.30100279251004
+  1 settings made for x
+set atom $i y ${y0}
+set atom 91 y ${y0}
+set atom 91 y 7.47468527879977
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.93844582477913
+variable        y0 equal ${yi}
+variable        y0 equal 9.28443172681659
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 1.99748616854057
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y 9.28337218273013
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     586   -2.9871562   -1.3581576   -1.2531733 
+     587   -2.9871562   -1.3581576   -1.3795275 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.37952748168855
+variable naccept equal ${increment}
+variable naccept equal 206
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 73
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.42834627150613
+variable        y0 equal ${yi}
+variable        y0 equal 5.4691439980765
+
+set             atom $i x ${xnew}
+set             atom 73 x ${xnew}
+set             atom 73 x 6.52578634738046
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 73 y ${ynew}
+set             atom 73 y 5.47681858484942
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     587   -2.9871562   -1.3795275   -1.3795275 
+     588   -2.9871562   -1.3795275   -1.3430632 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 73 x ${x0}
+set atom 73 x 6.42834627150613
+  1 settings made for x
+set atom $i y ${y0}
+set atom 73 y ${y0}
+set atom 73 y 5.4691439980765
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.37933925469132
+variable        y0 equal ${yi}
+variable        y0 equal 5.58286277001101
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.37270225365372
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.5350309247275
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     588   -2.9871562   -1.3795275   -1.3430632 
+     589   -2.9871562   -1.3795275   -1.3805006 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.38050057431537
+variable naccept equal ${increment}
+variable naccept equal 207
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 30
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.83482123255073
+variable        y0 equal ${yi}
+variable        y0 equal 2.90886334153512
+
+set             atom $i x ${xnew}
+set             atom 30 x ${xnew}
+set             atom 30 x 4.8951647126609
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 30 y ${ynew}
+set             atom 30 y 2.85868977280953
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     589   -2.9871562   -1.3805006   -1.3805006 
+     590   -2.9871562   -1.3805006   -1.3816553 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.38165527696185
+variable naccept equal ${increment}
+variable naccept equal 208
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 75
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.43141517479192
+variable        y0 equal ${yi}
+variable        y0 equal 5.56478210632998
+
+set             atom $i x ${xnew}
+set             atom 75 x ${xnew}
+set             atom 75 x 7.40136385996114
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 75 y ${ynew}
+set             atom 75 y 5.62311518137652
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     590   -2.9871562   -1.3816553   -1.3816553 
+     591   -2.9871562   -1.3816553   -1.3625154 
+Loop time of 4.3869e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 75 x ${x0}
+set atom 75 x 7.43141517479192
+  1 settings made for x
+set atom $i y ${y0}
+set atom 75 y ${y0}
+set atom 75 y 5.56478210632998
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.44271840571481
+variable        y0 equal ${yi}
+variable        y0 equal 3.64753458066117
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.50014636038858
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.73485736413132
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     591   -2.9871562   -1.3816553   -1.3625154 
+     592   -2.9871562   -1.3816553   -1.3831312 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.38313121598977
+variable naccept equal ${increment}
+variable naccept equal 209
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 67
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.3012590146021
+variable        y0 equal ${yi}
+variable        y0 equal 5.54728171770769
+
+set             atom $i x ${xnew}
+set             atom 67 x ${xnew}
+set             atom 67 x 3.39509936332265
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 67 y ${ynew}
+set             atom 67 y 5.57799570505815
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     592   -2.9871562   -1.3831312   -1.3831312 
+     593   -2.9871562   -1.3831312   -1.3723506 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 67 x ${x0}
+set atom 67 x 3.3012590146021
+  1 settings made for x
+set atom $i y ${y0}
+set atom 67 y ${y0}
+set atom 67 y 5.54728171770769
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.34202759662534
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y -0.0192600131034876
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     593   -2.9871562   -1.3831312   -1.3723506 
+     594   -2.9871562   -1.3831312   -1.3807315 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.31983832835275
+variable        y0 equal ${yi}
+variable        y0 equal 9.28122769105762
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.36090334176141
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y 9.36127550113529
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     594   -2.9871562   -1.3831312   -1.3807315 
+     595   -2.9871562   -1.3831312     -1.36366 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 13 x ${x0}
+set atom 13 x 6.31983832835275
+  1 settings made for x
+set atom $i y ${y0}
+set atom 13 y ${y0}
+set atom 13 y 9.28122769105762
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 94
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.0883078245227
+variable        y0 equal ${yi}
+variable        y0 equal 8.34910107769069
+
+set             atom $i x ${xnew}
+set             atom 94 x ${xnew}
+set             atom 94 x 7.18029399195358
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 94 y ${ynew}
+set             atom 94 y 8.40897090353069
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     595   -2.9871562   -1.3831312     -1.36366 
+     596   -2.9871562   -1.3831312   -1.3483502 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 94 x ${x0}
+set atom 94 x 7.0883078245227
+  1 settings made for x
+set atom $i y ${y0}
+set atom 94 y ${y0}
+set atom 94 y 8.34910107769069
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.99748616854057
+variable        y0 equal ${yi}
+variable        y0 equal 9.28337218273013
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 2.01127850452766
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y 9.27465030658572
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     596   -2.9871562   -1.3831312   -1.3483502 
+     597   -2.9871562   -1.3831312   -1.3850537 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.38505367883356
+variable naccept equal ${increment}
+variable naccept equal 210
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 23
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.15155310948544
+variable        y0 equal ${yi}
+variable        y0 equal 1.8275491871602
+
+set             atom $i x ${xnew}
+set             atom 23 x ${xnew}
+set             atom 23 x 1.23193701823407
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 23 y ${ynew}
+set             atom 23 y 1.89866228482789
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     597   -2.9871562   -1.3850537   -1.3850537 
+     598   -2.9871562   -1.3850537   -1.3473948 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 23 x ${x0}
+set atom 23 x 1.15155310948544
+  1 settings made for x
+set atom $i y ${y0}
+set atom 23 y ${y0}
+set atom 23 y 1.8275491871602
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.95588066298515
+variable        y0 equal ${yi}
+variable        y0 equal 0.958170147645798
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 8.91207848507911
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 1.00596296380791
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     598   -2.9871562   -1.3850537   -1.3473948 
+     599   -2.9871562   -1.3850537   -1.3326117 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 18 x ${x0}
+set atom 18 x 8.95588066298515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 18 y ${y0}
+set atom 18 y 0.958170147645798
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 78
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.1799755902961
+variable        y0 equal ${yi}
+variable        y0 equal 6.56346605555049
+
+set             atom $i x ${xnew}
+set             atom 78 x ${xnew}
+set             atom 78 x 9.23172874171288
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 78 y ${ynew}
+set             atom 78 y 6.56647083298198
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     599   -2.9871562   -1.3850537   -1.3326117 
+     600   -2.9871562   -1.3850537   -1.3674685 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 78 x ${x0}
+set atom 78 x 9.1799755902961
+  1 settings made for x
+set atom $i y ${y0}
+set atom 78 y ${y0}
+set atom 78 y 6.56346605555049
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.05527156868621
+variable        y0 equal ${yi}
+variable        y0 equal 4.53311400765344
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 6.96265421190902
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.54610840433999
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     600   -2.9871562   -1.3850537   -1.3674685 
+     601   -2.9871562   -1.3850537   -1.3314972 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.05527156868621
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.53311400765344
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.49239535489503
+variable        y0 equal ${yi}
+variable        y0 equal 3.71645880503785
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.4058857814354
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.74886415763032
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     601   -2.9871562   -1.3850537   -1.3314972 
+     602   -2.9871562   -1.3850537   -1.3256792 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 57 x ${x0}
+set atom 57 x 8.49239535489503
+  1 settings made for x
+set atom $i y ${y0}
+set atom 57 y ${y0}
+set atom 57 y 3.71645880503785
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31064851680662
+variable        y0 equal ${yi}
+variable        y0 equal 1.91864991567201
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.29727901616957
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 1.88125138661928
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     602   -2.9871562   -1.3850537   -1.3256792 
+     603   -2.9871562   -1.3850537   -1.3764088 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 31 x ${x0}
+set atom 31 x 5.31064851680662
+  1 settings made for x
+set atom $i y ${y0}
+set atom 31 y ${y0}
+set atom 31 y 1.91864991567201
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6441186865025
+variable        y0 equal ${yi}
+variable        y0 equal -0.0446481108665466
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x 10.6847808917218
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 0.0503261208534241
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     603   -2.9871562   -1.3850537   -1.3764088 
+     604   -2.9871562   -1.3850537   -1.3057418 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 1 x ${x0}
+set atom 1 x 10.6441186865025
+  1 settings made for x
+set atom $i y ${y0}
+set atom 1 y ${y0}
+set atom 1 y -0.0446481108665466
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.49239535489503
+variable        y0 equal ${yi}
+variable        y0 equal 3.71645880503785
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.58295833030168
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.68115541501176
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     604   -2.9871562   -1.3850537   -1.3057418 
+     605   -2.9871562   -1.3850537   -1.3784599 
+Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 57 x ${x0}
+set atom 57 x 8.49239535489503
+  1 settings made for x
+set atom $i y ${y0}
+set atom 57 y ${y0}
+set atom 57 y 3.71645880503785
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80888134757167
+variable        y0 equal ${yi}
+variable        y0 equal 2.87047326537469
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.81428678551799
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.78096287223199
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     605   -2.9871562   -1.3850537   -1.3784599 
+     606   -2.9871562   -1.3850537   -1.3839863 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.80888134757167
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.87047326537469
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.95588066298515
+variable        y0 equal ${yi}
+variable        y0 equal 0.958170147645798
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 9.04897592980415
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 0.963812907445755
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     606   -2.9871562   -1.3850537   -1.3839863 
+     607   -2.9871562   -1.3850537   -1.3757286 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 18 x ${x0}
+set atom 18 x 8.95588066298515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 18 y ${y0}
+set atom 18 y 0.958170147645798
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 27
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.19226642608205
+variable        y0 equal ${yi}
+variable        y0 equal 1.99900682351654
+
+set             atom $i x ${xnew}
+set             atom 27 x ${xnew}
+set             atom 27 x 3.19158099650899
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 27 y ${ynew}
+set             atom 27 y 2.0968829073674
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     607   -2.9871562   -1.3850537   -1.3757286 
+     608   -2.9871562   -1.3850537    -1.329932 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 27 x ${x0}
+set atom 27 x 3.19226642608205
+  1 settings made for x
+set atom $i y ${y0}
+set atom 27 y ${y0}
+set atom 27 y 1.99900682351654
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.609000296989348
+variable        y0 equal ${yi}
+variable        y0 equal 0.984621043908919
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.661875839630034
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.953116424787367
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     608   -2.9871562   -1.3850537    -1.329932 
+     609   -2.9871562   -1.3850537    -1.374074 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.609000296989348
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 0.984621043908919
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.6697051664157
+variable        y0 equal ${yi}
+variable        y0 equal 0.985170360315169
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.74688103397323
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 1.00073587487968
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     609   -2.9871562   -1.3850537    -1.374074 
+     610   -2.9871562   -1.3850537   -1.3687956 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 6 x ${x0}
+set atom 6 x 2.6697051664157
+  1 settings made for x
+set atom $i y ${y0}
+set atom 6 y ${y0}
+set atom 6 y 0.985170360315169
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.50014636038858
+variable        y0 equal ${yi}
+variable        y0 equal 3.73485736413132
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.44109354733545
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.77544760270249
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     610   -2.9871562   -1.3850537   -1.3687956 
+     611   -2.9871562   -1.3850537    -1.291347 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 53 x ${x0}
+set atom 53 x 6.50014636038858
+  1 settings made for x
+set atom $i y ${y0}
+set atom 53 y ${y0}
+set atom 53 y 3.73485736413132
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.79853938141947
+variable        y0 equal ${yi}
+variable        y0 equal 4.56348908299372
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.7123203686822
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.54204444044993
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     611   -2.9871562   -1.3850537    -1.291347 
+     612   -2.9871562   -1.3850537   -1.3520084 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 48 x ${x0}
+set atom 48 x 3.79853938141947
+  1 settings made for x
+set atom $i y ${y0}
+set atom 48 y ${y0}
+set atom 48 y 4.56348908299372
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.62032703041811
+variable        y0 equal ${yi}
+variable        y0 equal 0.920044656503527
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.63596331953783
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 1.00232377837929
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     612   -2.9871562   -1.3850537   -1.3520084 
+     613   -2.9871562   -1.3850537   -1.3682658 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 4 x ${x0}
+set atom 4 x 1.62032703041811
+  1 settings made for x
+set atom $i y ${y0}
+set atom 4 y ${y0}
+set atom 4 y 0.920044656503527
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6441186865025
+variable        y0 equal ${yi}
+variable        y0 equal 9.26140048015445
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x 10.6749607046299
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 9.28974660146564
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     613   -2.9871562   -1.3850537   -1.3682658 
+     614   -2.9871562   -1.3850537   -1.3705218 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 1 x ${x0}
+set atom 1 x 10.6441186865025
+  1 settings made for x
+set atom $i y ${y0}
+set atom 1 y ${y0}
+set atom 1 y 9.26140048015445
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.16361460129128
+variable        y0 equal ${yi}
+variable        y0 equal 3.71165227456224
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.20289023558007
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.77375853819978
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     614   -2.9871562   -1.3850537   -1.3705218 
+     615   -2.9871562   -1.3850537   -1.3811222 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 45 x ${x0}
+set atom 45 x 2.16361460129128
+  1 settings made for x
+set atom $i y ${y0}
+set atom 45 y ${y0}
+set atom 45 y 3.71165227456224
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.14132251460106
+variable        y0 equal ${yi}
+variable        y0 equal 4.91687022799417
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 9.12524742800743
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 5.00506101006433
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     615   -2.9871562   -1.3850537   -1.3811222 
+     616   -2.9871562   -1.3850537   -1.3105706 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 58 x ${x0}
+set atom 58 x 9.14132251460106
+  1 settings made for x
+set atom $i y ${y0}
+set atom 58 y ${y0}
+set atom 58 y 4.91687022799417
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 82
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.467086871066953
+variable        y0 equal ${yi}
+variable        y0 equal 8.28344582237299
+
+set             atom $i x ${xnew}
+set             atom 82 x ${xnew}
+set             atom 82 x 0.495169158378507
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 82 y ${ynew}
+set             atom 82 y 8.19806424297388
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     616   -2.9871562   -1.3850537   -1.3105706 
+     617   -2.9871562   -1.3850537   -1.3414633 
+Loop time of 3.91006e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 82 x ${x0}
+set atom 82 x 0.467086871066953
+  1 settings made for x
+set atom $i y ${y0}
+set atom 82 y ${y0}
+set atom 82 y 8.28344582237299
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 79
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.71175088165876
+variable        y0 equal ${yi}
+variable        y0 equal 5.71374509279924
+
+set             atom $i x ${xnew}
+set             atom 79 x ${xnew}
+set             atom 79 x 9.65862675188657
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 79 y ${ynew}
+set             atom 79 y 5.65731769745546
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     617   -2.9871562   -1.3850537   -1.3414633 
+     618   -2.9871562   -1.3850537   -1.3676177 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 79 x ${x0}
+set atom 79 x 9.71175088165876
+  1 settings made for x
+set atom $i y ${y0}
+set atom 79 y ${y0}
+set atom 79 y 5.71374509279924
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.9486086213523
+variable        y0 equal ${yi}
+variable        y0 equal 6.50839406982889
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.93977924227057
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.55731870666971
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     618   -2.9871562   -1.3850537   -1.3676177 
+     619   -2.9871562   -1.3850537   -1.3562614 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 4.9486086213523
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.50839406982889
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.62032703041811
+variable        y0 equal ${yi}
+variable        y0 equal 0.920044656503527
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.61625435232897
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 0.9234049756411
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     619   -2.9871562   -1.3850537   -1.3562614 
+     620   -2.9871562   -1.3850537   -1.3843346 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 4 x ${x0}
+set atom 4 x 1.62032703041811
+  1 settings made for x
+set atom $i y ${y0}
+set atom 4 y ${y0}
+set atom 4 y 0.920044656503527
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.62032703041811
+variable        y0 equal ${yi}
+variable        y0 equal 0.920044656503527
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.69268700957079
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 1.00773170779976
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     620   -2.9871562   -1.3850537   -1.3843346 
+     621   -2.9871562   -1.3850537   -1.3680031 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 4 x ${x0}
+set atom 4 x 1.62032703041811
+  1 settings made for x
+set atom $i y ${y0}
+set atom 4 y ${y0}
+set atom 4 y 0.920044656503527
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 30
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.8951647126609
+variable        y0 equal ${yi}
+variable        y0 equal 2.85868977280953
+
+set             atom $i x ${xnew}
+set             atom 30 x ${xnew}
+set             atom 30 x 4.80785045265495
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 30 y ${ynew}
+set             atom 30 y 2.86851253482201
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     621   -2.9871562   -1.3850537   -1.3680031 
+     622   -2.9871562   -1.3850537   -1.3840955 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 30 x ${x0}
+set atom 30 x 4.8951647126609
+  1 settings made for x
+set atom $i y ${y0}
+set atom 30 y ${y0}
+set atom 30 y 2.85868977280953
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 82
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.467086871066953
+variable        y0 equal ${yi}
+variable        y0 equal 8.28344582237299
+
+set             atom $i x ${xnew}
+set             atom 82 x ${xnew}
+set             atom 82 x 0.44764589826193
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 82 y ${ynew}
+set             atom 82 y 8.32563534893091
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     622   -2.9871562   -1.3850537   -1.3840955 
+     623   -2.9871562   -1.3850537   -1.3872811 
+Loop time of 0.0400109 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.38728108349954
+variable naccept equal ${increment}
+variable naccept equal 211
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.03489085395328
+variable        y0 equal ${yi}
+variable        y0 equal 4.55223173254892
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 5.9899615760564
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.5907792245762
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     623   -2.9871562   -1.3872811   -1.3872811 
+     624   -2.9871562   -1.3872811   -1.4127818 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.41278180893224
+variable naccept equal ${increment}
+variable naccept equal 212
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 30
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.8951647126609
+variable        y0 equal ${yi}
+variable        y0 equal 2.85868977280953
+
+set             atom $i x ${xnew}
+set             atom 30 x ${xnew}
+set             atom 30 x 4.99147927402794
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 30 y ${ynew}
+set             atom 30 y 2.85271881791451
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     624   -2.9871562   -1.4127818   -1.4127818 
+     625   -2.9871562   -1.4127818    -1.343882 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 30 x ${x0}
+set atom 30 x 4.8951647126609
+  1 settings made for x
+set atom $i y ${y0}
+set atom 30 y ${y0}
+set atom 30 y 2.85868977280953
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.95588066298515
+variable        y0 equal ${yi}
+variable        y0 equal 0.958170147645798
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 9.00074370820076
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 0.970562859285202
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     625   -2.9871562   -1.4127818    -1.343882 
+     626   -2.9871562   -1.4127818   -1.4088029 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 18 x ${x0}
+set atom 18 x 8.95588066298515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 18 y ${y0}
+set atom 18 y 0.958170147645798
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.65137007117053
+variable        y0 equal ${yi}
+variable        y0 equal 4.58490908497735
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.65167639136096
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.64821097010537
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     626   -2.9871562   -1.4127818   -1.4088029 
+     627   -2.9871562   -1.4127818   -1.4171293 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.41712932007563
+variable naccept equal ${increment}
+variable naccept equal 213
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.54351456640837
+variable        y0 equal ${yi}
+variable        y0 equal 3.68936000628603
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.52418797491667
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.67949695153368
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     627   -2.9871562   -1.4171293   -1.4171293 
+     628   -2.9871562   -1.4171293   -1.4158179 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 59 x ${x0}
+set atom 59 x 9.54351456640837
+  1 settings made for x
+set atom $i y ${y0}
+set atom 59 y ${y0}
+set atom 59 y 3.68936000628603
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.50696252742235
+variable        y0 equal ${yi}
+variable        y0 equal 5.69319788162904
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.50189744391863
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.62625844423967
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     628   -2.9871562   -1.4171293   -1.4158179 
+     629   -2.9871562   -1.4171293   -1.4175466 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.41754664501398
+variable naccept equal ${increment}
+variable naccept equal 214
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.83310471732608
+variable        y0 equal ${yi}
+variable        y0 equal 8.3484317771345
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.76399728019229
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.28182130970057
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     629   -2.9871562   -1.4175466   -1.4175466 
+     630   -2.9871562   -1.4175466   -1.3724141 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 92 x ${x0}
+set atom 92 x 5.83310471732608
+  1 settings made for x
+set atom $i y ${y0}
+set atom 92 y ${y0}
+set atom 92 y 8.3484317771345
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 50
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.95269535421668
+variable        y0 equal ${yi}
+variable        y0 equal 4.50253551358148
+
+set             atom $i x ${xnew}
+set             atom 50 x ${xnew}
+set             atom 50 x 4.93783021807014
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 50 y ${ynew}
+set             atom 50 y 4.47542828673288
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     630   -2.9871562   -1.4175466   -1.3724141 
+     631   -2.9871562   -1.4175466   -1.3978291 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 50 x ${x0}
+set atom 50 x 4.95269535421668
+  1 settings made for x
+set atom $i y ${y0}
+set atom 50 y ${y0}
+set atom 50 y 4.50253551358148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 32
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.90086858232013
+variable        y0 equal ${yi}
+variable        y0 equal 2.85332814427712
+
+set             atom $i x ${xnew}
+set             atom 32 x ${xnew}
+set             atom 32 x 5.92728100974551
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 32 y ${ynew}
+set             atom 32 y 2.81102399798729
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     631   -2.9871562   -1.4175466   -1.3978291 
+     632   -2.9871562   -1.4175466    -1.390464 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 32 x ${x0}
+set atom 32 x 5.90086858232013
+  1 settings made for x
+set atom $i y ${y0}
+set atom 32 y ${y0}
+set atom 32 y 2.85332814427712
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 35
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.39499159891379
+variable        y0 equal ${yi}
+variable        y0 equal 1.92000625512666
+
+set             atom $i x ${xnew}
+set             atom 35 x ${xnew}
+set             atom 35 x 7.31234352428687
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 35 y ${ynew}
+set             atom 35 y 1.89091948649949
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     632   -2.9871562   -1.4175466    -1.390464 
+     633   -2.9871562   -1.4175466   -1.4261792 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.42617915925012
+variable naccept equal ${increment}
+variable naccept equal 215
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.43885856071379
+variable        y0 equal ${yi}
+variable        y0 equal 5.558475553443
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.48234918514158
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.5516745681067
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     633   -2.9871562   -1.4261792   -1.4261792 
+     634   -2.9871562   -1.4261792    -1.409773 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 71 x ${x0}
+set atom 71 x 5.43885856071379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 71 y ${y0}
+set atom 71 y 5.558475553443
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6441186865025
+variable        y0 equal ${yi}
+variable        y0 equal 9.26140048015445
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x 10.648263963049
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 9.2079006861481
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     634   -2.9871562   -1.4261792    -1.409773 
+     635   -2.9871562   -1.4261792    -1.435484 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.4354839986223
+variable naccept equal ${increment}
+variable naccept equal 216
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 17
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.55511315026705
+variable        y0 equal ${yi}
+variable        y0 equal 9.1494782041344
+
+set             atom $i x ${xnew}
+set             atom 17 x ${xnew}
+set             atom 17 x 8.61520300069277
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 17 y ${ynew}
+set             atom 17 y 9.09114980209201
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     635   -2.9871562    -1.435484    -1.435484 
+     636   -2.9871562    -1.435484   -1.3869192 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 17 x ${x0}
+set atom 17 x 8.55511315026705
+  1 settings made for x
+set atom $i y ${y0}
+set atom 17 y ${y0}
+set atom 17 y 9.1494782041344
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.18878640571939
+variable        y0 equal ${yi}
+variable        y0 equal 5.5354710811873
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.24505562225687
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.45345857088762
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     636   -2.9871562    -1.435484   -1.3869192 
+     637   -2.9871562    -1.435484   -1.3820555 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 65 x ${x0}
+set atom 65 x 2.18878640571939
+  1 settings made for x
+set atom $i y ${y0}
+set atom 65 y ${y0}
+set atom 65 y 5.5354710811873
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.89360781310894
+variable        y0 equal ${yi}
+variable        y0 equal 0.970815511453479
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 7.83856721519329
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 1.05606873821053
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     637   -2.9871562    -1.435484   -1.3820555 
+     638   -2.9871562    -1.435484   -1.4041169 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 16 x ${x0}
+set atom 16 x 7.89360781310894
+  1 settings made for x
+set atom $i y ${y0}
+set atom 16 y ${y0}
+set atom 16 y 0.970815511453479
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 10
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.86377175688087
+variable        y0 equal ${yi}
+variable        y0 equal 0.979123874414294
+
+set             atom $i x ${xnew}
+set             atom 10 x ${xnew}
+set             atom 10 x 4.93898677467643
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 10 y ${ynew}
+set             atom 10 y 0.922879894483416
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     638   -2.9871562    -1.435484   -1.4041169 
+     639   -2.9871562    -1.435484   -1.4047063 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 10 x ${x0}
+set atom 10 x 4.86377175688087
+  1 settings made for x
+set atom $i y ${y0}
+set atom 10 y ${y0}
+set atom 10 y 0.979123874414294
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 73
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.42834627150613
+variable        y0 equal ${yi}
+variable        y0 equal 5.4691439980765
+
+set             atom $i x ${xnew}
+set             atom 73 x ${xnew}
+set             atom 73 x 6.37511158703881
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 73 y ${ynew}
+set             atom 73 y 5.55292977040011
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     639   -2.9871562    -1.435484   -1.4047063 
+     640   -2.9871562    -1.435484   -1.4270103 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 73 x ${x0}
+set atom 73 x 6.42834627150613
+  1 settings made for x
+set atom $i y ${y0}
+set atom 73 y ${y0}
+set atom 73 y 5.4691439980765
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 39
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.48253180264112
+variable        y0 equal ${yi}
+variable        y0 equal 1.83061694285935
+
+set             atom $i x ${xnew}
+set             atom 39 x ${xnew}
+set             atom 39 x 9.44324071882841
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 39 y ${ynew}
+set             atom 39 y 1.81839132688111
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     640   -2.9871562    -1.435484   -1.4270103 
+     641   -2.9871562    -1.435484   -1.4081823 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 39 x ${x0}
+set atom 39 x 9.48253180264112
+  1 settings made for x
+set atom $i y ${y0}
+set atom 39 y ${y0}
+set atom 39 y 1.83061694285935
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 49
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.29856565077515
+variable        y0 equal ${yi}
+variable        y0 equal 3.75675644440782
+
+set             atom $i x ${xnew}
+set             atom 49 x ${xnew}
+set             atom 49 x 4.23712824661942
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 49 y ${ynew}
+set             atom 49 y 3.7975365237726
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     641   -2.9871562    -1.435484   -1.4081823 
+     642   -2.9871562    -1.435484   -1.3559627 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 49 x ${x0}
+set atom 49 x 4.29856565077515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 49 y ${y0}
+set atom 49 y 3.75675644440782
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.44501340229284
+variable        y0 equal ${yi}
+variable        y0 equal 0.0728780150413514
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.42581077654135
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y 0.00200206041336068
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     642   -2.9871562    -1.435484   -1.3559627 
+     643   -2.9871562    -1.435484   -1.4378058 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.43780579475459
+variable naccept equal ${increment}
+variable naccept equal 217
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6194513638668
+variable        y0 equal ${yi}
+variable        y0 equal 5.51495547239976
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x 10.6798384984188
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.47642980759339
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     643   -2.9871562   -1.4378058   -1.4378058 
+     644   -2.9871562   -1.4378058   -1.4836523 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.48365228837593
+variable naccept equal ${increment}
+variable naccept equal 218
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.16361460129128
+variable        y0 equal ${yi}
+variable        y0 equal 3.71165227456224
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.19388546387063
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.77270575328004
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     644   -2.9871562   -1.4836523   -1.4836523 
+     645   -2.9871562   -1.4836523   -1.4861225 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.48612248111829
+variable naccept equal ${increment}
+variable naccept equal 219
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.95588066298515
+variable        y0 equal ${yi}
+variable        y0 equal 0.958170147645798
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 8.86414540726692
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 1.04625742028984
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     645   -2.9871562   -1.4861225   -1.4861225 
+     646   -2.9871562   -1.4861225   -1.2962603 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 18 x ${x0}
+set atom 18 x 8.95588066298515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 18 y ${y0}
+set atom 18 y 0.958170147645798
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80888134757167
+variable        y0 equal ${yi}
+variable        y0 equal 2.87047326537469
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.871384983455
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.95588707896569
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     646   -2.9871562   -1.4861225   -1.2962603 
+     647   -2.9871562   -1.4861225   -1.4163758 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.80888134757167
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.87047326537469
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.14132251460106
+variable        y0 equal ${yi}
+variable        y0 equal 4.91687022799417
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 9.22162594515831
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.96126422041818
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     647   -2.9871562   -1.4861225   -1.4163758 
+     648   -2.9871562   -1.4861225   -1.4222101 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 58 x ${x0}
+set atom 58 x 9.14132251460106
+  1 settings made for x
+set atom $i y ${y0}
+set atom 58 y ${y0}
+set atom 58 y 4.91687022799417
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 38
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.13396360594779
+variable        y0 equal ${yi}
+variable        y0 equal 2.69964367123941
+
+set             atom $i x ${xnew}
+set             atom 38 x ${xnew}
+set             atom 38 x 9.18394357878715
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 38 y ${ynew}
+set             atom 38 y 2.67225230904916
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     648   -2.9871562   -1.4861225   -1.4222101 
+     649   -2.9871562   -1.4861225   -1.4345983 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 38 x ${x0}
+set atom 38 x 9.13396360594779
+  1 settings made for x
+set atom $i y ${y0}
+set atom 38 y ${y0}
+set atom 38 y 2.69964367123941
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.43885856071379
+variable        y0 equal ${yi}
+variable        y0 equal 5.558475553443
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.34778758684065
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.48445597832398
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     649   -2.9871562   -1.4861225   -1.4345983 
+     650   -2.9871562   -1.4861225   -1.4784945 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 71 x ${x0}
+set atom 71 x 5.43885856071379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 71 y ${y0}
+set atom 71 y 5.558475553443
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.609000296989348
+variable        y0 equal ${yi}
+variable        y0 equal 0.984621043908919
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.599176199832823
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 1.06154056381019
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     650   -2.9871562   -1.4861225   -1.4784945 
+     651   -2.9871562   -1.4861225   -1.4548009 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.609000296989348
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 0.984621043908919
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.6697051664157
+variable        y0 equal ${yi}
+variable        y0 equal 0.985170360315169
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.73118131359054
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 0.95709611963066
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     651   -2.9871562   -1.4861225   -1.4548009 
+     652   -2.9871562   -1.4861225   -1.4757477 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 6 x ${x0}
+set atom 6 x 2.6697051664157
+  1 settings made for x
+set atom $i y ${y0}
+set atom 6 y ${y0}
+set atom 6 y 0.985170360315169
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 49
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.29856565077515
+variable        y0 equal ${yi}
+variable        y0 equal 3.75675644440782
+
+set             atom $i x ${xnew}
+set             atom 49 x ${xnew}
+set             atom 49 x 4.29979468662949
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 49 y ${ynew}
+set             atom 49 y 3.68506254716051
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     652   -2.9871562   -1.4861225   -1.4757477 
+     653   -2.9871562   -1.4861225   -1.4910279 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.49102789094257
+variable naccept equal ${increment}
+variable naccept equal 220
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.89360781310894
+variable        y0 equal ${yi}
+variable        y0 equal 0.970815511453479
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 7.84936464427807
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 0.952607961404651
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     653   -2.9871562   -1.4910279   -1.4910279 
+     654   -2.9871562   -1.4910279   -1.4806387 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 16 x ${x0}
+set atom 16 x 7.89360781310894
+  1 settings made for x
+set atom $i y ${y0}
+set atom 16 y ${y0}
+set atom 16 y 0.970815511453479
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.81409508505946
+variable        y0 equal ${yi}
+variable        y0 equal 8.41906071819362
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.90877110282069
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.49039127744731
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     654   -2.9871562   -1.4910279   -1.4806387 
+     655   -2.9871562   -1.4910279   -1.3776989 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.81409508505946
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.41906071819362
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.35305790105726
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y -0.06727149486542
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     655   -2.9871562   -1.4910279   -1.3776989 
+     656   -2.9871562   -1.4910279   -1.4837914 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 41
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.736381598299
+variable        y0 equal ${yi}
+variable        y0 equal 3.75094525380266
+
+set             atom $i x ${xnew}
+set             atom 41 x ${xnew}
+set             atom 41 x 10.8196943839245
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 41 y ${ynew}
+set             atom 41 y 3.67012049718035
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     656   -2.9871562   -1.4910279   -1.4837914 
+     657   -2.9871562   -1.4910279   -1.4915712 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.49157124334998
+variable naccept equal ${increment}
+variable naccept equal 221
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.70111999392291
+variable        y0 equal ${yi}
+variable        y0 equal 6.45056509510509
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.75976018786212
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.53850911394588
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     657   -2.9871562   -1.4915712   -1.4915712 
+     658   -2.9871562   -1.4915712   -1.4818599 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.70111999392291
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.45056509510509
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 19
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.4949854779112
+variable        y0 equal ${yi}
+variable        y0 equal 0.0935324668884274
+
+set             atom $i x ${xnew}
+set             atom 19 x ${xnew}
+set             atom 19 x 9.45617995737669
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 19 y ${ynew}
+set             atom 19 y 0.122891819477081
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     658   -2.9871562   -1.4915712   -1.4818599 
+     659   -2.9871562   -1.4915712   -1.4624209 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 19 x ${x0}
+set atom 19 x 9.4949854779112
+  1 settings made for x
+set atom $i y ${y0}
+set atom 19 y ${y0}
+set atom 19 y 0.0935324668884274
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 99
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.79539506910918
+variable        y0 equal ${yi}
+variable        y0 equal 7.31491797294879
+
+set             atom $i x ${xnew}
+set             atom 99 x ${xnew}
+set             atom 99 x 9.84648401020644
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 99 y ${ynew}
+set             atom 99 y 7.3616387518909
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     659   -2.9871562   -1.4915712   -1.4624209 
+     660   -2.9871562   -1.4915712   -1.4576597 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 99 x ${x0}
+set atom 99 x 9.79539506910918
+  1 settings made for x
+set atom $i y ${y0}
+set atom 99 y ${y0}
+set atom 99 y 7.31491797294879
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 26
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.66067210634184
+variable        y0 equal ${yi}
+variable        y0 equal 2.84075683328011
+
+set             atom $i x ${xnew}
+set             atom 26 x ${xnew}
+set             atom 26 x 2.73504253824186
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 26 y ${ynew}
+set             atom 26 y 2.92310613366463
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     660   -2.9871562   -1.4915712   -1.4576597 
+     661   -2.9871562   -1.4915712   -1.4755451 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 26 x ${x0}
+set atom 26 x 2.66067210634184
+  1 settings made for x
+set atom $i y ${y0}
+set atom 26 y ${y0}
+set atom 26 y 2.84075683328011
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 7
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.18484719752828
+variable        y0 equal ${yi}
+variable        y0 equal 0.0215112447738743
+
+set             atom $i x ${xnew}
+set             atom 7 x ${xnew}
+set             atom 7 x 3.27643877028982
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 7 y ${ynew}
+set             atom 7 y 0.075750613212595
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     661   -2.9871562   -1.4915712   -1.4755451 
+     662   -2.9871562   -1.4915712    -1.520318 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.52031803392727
+variable naccept equal ${increment}
+variable naccept equal 222
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 24
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.58777606367846
+variable        y0 equal ${yi}
+variable        y0 equal 2.84301091405252
+
+set             atom $i x ${xnew}
+set             atom 24 x ${xnew}
+set             atom 24 x 1.66249351382037
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 24 y ${ynew}
+set             atom 24 y 2.75859200927118
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     662   -2.9871562    -1.520318    -1.520318 
+     663   -2.9871562    -1.520318   -1.5047297 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 24 x ${x0}
+set atom 24 x 1.58777606367846
+  1 settings made for x
+set atom $i y ${y0}
+set atom 24 y ${y0}
+set atom 24 y 2.84301091405252
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 82
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.44764589826193
+variable        y0 equal ${yi}
+variable        y0 equal 8.32563534893091
+
+set             atom $i x ${xnew}
+set             atom 82 x ${xnew}
+set             atom 82 x 0.365077515045072
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 82 y ${ynew}
+set             atom 82 y 8.28618894733484
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     663   -2.9871562    -1.520318   -1.5047297 
+     664   -2.9871562    -1.520318    -1.477278 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 82 x ${x0}
+set atom 82 x 0.44764589826193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 82 y ${y0}
+set atom 82 y 8.32563534893091
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 56
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.0944710194955
+variable        y0 equal ${yi}
+variable        y0 equal 4.65609761828349
+
+set             atom $i x ${xnew}
+set             atom 56 x ${xnew}
+set             atom 56 x 8.18000540136196
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 56 y ${ynew}
+set             atom 56 y 4.56114988678859
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     664   -2.9871562    -1.520318    -1.477278 
+     665   -2.9871562    -1.520318   -1.4498987 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 56 x ${x0}
+set atom 56 x 8.0944710194955
+  1 settings made for x
+set atom $i y ${y0}
+set atom 56 y ${y0}
+set atom 56 y 4.65609761828349
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.50014636038858
+variable        y0 equal ${yi}
+variable        y0 equal 3.73485736413132
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.49823891638834
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.73309955163132
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     665   -2.9871562    -1.520318   -1.4498987 
+     666   -2.9871562    -1.520318   -1.5211728 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.52117283696309
+variable naccept equal ${increment}
+variable naccept equal 223
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.95588066298515
+variable        y0 equal ${yi}
+variable        y0 equal 0.958170147645798
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 8.93586747366935
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 0.897689135778275
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     666   -2.9871562   -1.5211728   -1.5211728 
+     667   -2.9871562   -1.5211728   -1.5292357 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.52923573959139
+variable naccept equal ${increment}
+variable naccept equal 224
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.37270225365372
+variable        y0 equal ${yi}
+variable        y0 equal 5.5350309247275
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.38908102591248
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.51644262020785
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     667   -2.9871562   -1.5292357   -1.5292357 
+     668   -2.9871562   -1.5292357   -1.5285944 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.52859437392368
+variable naccept equal ${increment}
+variable naccept equal 225
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 41
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.8196943839245
+variable        y0 equal ${yi}
+variable        y0 equal 3.67012049718035
+
+set             atom $i x ${xnew}
+set             atom 41 x ${xnew}
+set             atom 41 x 10.8444620211773
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 41 y ${ynew}
+set             atom 41 y 3.6413920835985
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     668   -2.9871562   -1.5285944   -1.5285944 
+     669   -2.9871562   -1.5285944   -1.5190388 
+Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 41 x ${x0}
+set atom 41 x 10.8196943839245
+  1 settings made for x
+set atom $i y ${y0}
+set atom 41 y ${y0}
+set atom 41 y 3.67012049718035
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.11236243842937
+variable        y0 equal ${yi}
+variable        y0 equal 8.24853718198832
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.20931401847698
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.32984374679621
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     669   -2.9871562   -1.5285944   -1.5190388 
+     670   -2.9871562   -1.5285944   -1.4393888 
+Loop time of 0.00014019 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.11236243842937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.24853718198832
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.648263963049
+variable        y0 equal ${yi}
+variable        y0 equal 9.2079006861481
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x 10.6936472852879
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 9.25655743587344
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     670   -2.9871562   -1.5285944   -1.4393888 
+     671   -2.9871562   -1.5285944   -1.5137636 
+Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 1 x ${x0}
+set atom 1 x 10.648263963049
+  1 settings made for x
+set atom $i y ${y0}
+set atom 1 y ${y0}
+set atom 1 y 9.2079006861481
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 32
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.90086858232013
+variable        y0 equal ${yi}
+variable        y0 equal 2.85332814427712
+
+set             atom $i x ${xnew}
+set             atom 32 x ${xnew}
+set             atom 32 x 5.92757778127185
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 32 y ${ynew}
+set             atom 32 y 2.76324702473977
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     671   -2.9871562   -1.5285944   -1.5137636 
+     672   -2.9871562   -1.5285944   -1.4285746 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 32 x ${x0}
+set atom 32 x 5.90086858232013
+  1 settings made for x
+set atom $i y ${y0}
+set atom 32 y ${y0}
+set atom 32 y 2.85332814427712
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.83310471732608
+variable        y0 equal ${yi}
+variable        y0 equal 8.3484317771345
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.7367061491727
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.37417242445048
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     672   -2.9871562   -1.5285944   -1.4285746 
+     673   -2.9871562   -1.5285944    -1.511837 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 92 x ${x0}
+set atom 92 x 5.83310471732608
+  1 settings made for x
+set atom $i y ${y0}
+set atom 92 y ${y0}
+set atom 92 y 8.3484317771345
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.9486086213523
+variable        y0 equal ${yi}
+variable        y0 equal 6.50839406982889
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 5.03511389135657
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.4296056939744
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     673   -2.9871562   -1.5285944    -1.511837 
+     674   -2.9871562   -1.5285944   -1.4998424 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 4.9486086213523
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.50839406982889
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 60
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1148146752378
+variable        y0 equal ${yi}
+variable        y0 equal 4.54698911065027
+
+set             atom $i x ${xnew}
+set             atom 60 x ${xnew}
+set             atom 60 x 10.0182748798391
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 60 y ${ynew}
+set             atom 60 y 4.47931827658579
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     674   -2.9871562   -1.5285944   -1.4998424 
+     675   -2.9871562   -1.5285944   -1.4679747 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 60 x ${x0}
+set atom 60 x 10.1148146752378
+  1 settings made for x
+set atom $i y ${y0}
+set atom 60 y ${y0}
+set atom 60 y 4.54698911065027
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 49
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.29979468662949
+variable        y0 equal ${yi}
+variable        y0 equal 3.68506254716051
+
+set             atom $i x ${xnew}
+set             atom 49 x ${xnew}
+set             atom 49 x 4.36545280297013
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 49 y ${ynew}
+set             atom 49 y 3.76343255801332
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     675   -2.9871562   -1.5285944   -1.4679747 
+     676   -2.9871562   -1.5285944   -1.5234285 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 49 x ${x0}
+set atom 49 x 4.29979468662949
+  1 settings made for x
+set atom $i y ${y0}
+set atom 49 y ${y0}
+set atom 49 y 3.68506254716051
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.3580195311566
+variable        y0 equal ${yi}
+variable        y0 equal 0.876792534101337
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.3420591358204
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 0.919908591020435
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     676   -2.9871562   -1.5285944   -1.5234285 
+     677   -2.9871562   -1.5285944   -1.5361048 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.53610478960888
+variable naccept equal ${increment}
+variable naccept equal 226
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.3420591358204
+variable        y0 equal ${yi}
+variable        y0 equal 0.919908591020435
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.302839982893
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 0.902523060548633
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     677   -2.9871562   -1.5361048   -1.5361048 
+     678   -2.9871562   -1.5361048   -1.5428288 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.5428288223352
+variable naccept equal ${increment}
+variable naccept equal 227
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 62
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.670342476764585
+variable        y0 equal ${yi}
+variable        y0 equal 6.59568084017267
+
+set             atom $i x ${xnew}
+set             atom 62 x ${xnew}
+set             atom 62 x 0.603585369983579
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 62 y ${ynew}
+set             atom 62 y 6.69126078621378
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     678   -2.9871562   -1.5428288   -1.5428288 
+     679   -2.9871562   -1.5428288     -1.44476 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 62 x ${x0}
+set atom 62 x 0.670342476764585
+  1 settings made for x
+set atom $i y ${y0}
+set atom 62 y ${y0}
+set atom 62 y 6.59568084017267
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 49
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.29979468662949
+variable        y0 equal ${yi}
+variable        y0 equal 3.68506254716051
+
+set             atom $i x ${xnew}
+set             atom 49 x ${xnew}
+set             atom 49 x 4.21123738367768
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 49 y ${ynew}
+set             atom 49 y 3.73444240851534
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     679   -2.9871562   -1.5428288     -1.44476 
+     680   -2.9871562   -1.5428288   -1.4912699 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 49 x ${x0}
+set atom 49 x 4.29979468662949
+  1 settings made for x
+set atom $i y ${y0}
+set atom 49 y ${y0}
+set atom 49 y 3.68506254716051
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.21652406850721
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y 0.0204649209976171
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     680   -2.9871562   -1.5428288   -1.4912699 
+     681   -2.9871562   -1.5428288   -1.4870226 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80888134757167
+variable        y0 equal ${yi}
+variable        y0 equal 2.87047326537469
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.818137829696
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.87919037314752
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     681   -2.9871562   -1.5428288   -1.4870226 
+     682   -2.9871562   -1.5428288   -1.5347825 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.80888134757167
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.87047326537469
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.2262481812498
+variable        y0 equal ${yi}
+variable        y0 equal 2.83032892915109
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.2974783424398
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.82333054515222
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     682   -2.9871562   -1.5428288   -1.5347825 
+     683   -2.9871562   -1.5428288   -1.5336564 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.2262481812498
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.83032892915109
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.89360781310894
+variable        y0 equal ${yi}
+variable        y0 equal 0.970815511453479
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 7.84625568984844
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 0.990762694585651
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     683   -2.9871562   -1.5428288   -1.5336564 
+     684   -2.9871562   -1.5428288   -1.5286969 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 16 x ${x0}
+set atom 16 x 7.89360781310894
+  1 settings made for x
+set atom $i y ${y0}
+set atom 16 y ${y0}
+set atom 16 y 0.970815511453479
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.81409508505946
+variable        y0 equal ${yi}
+variable        y0 equal 8.41906071819362
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.82981962481623
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.51831295408305
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     684   -2.9871562   -1.5428288   -1.5286969 
+     685   -2.9871562   -1.5428288   -1.5092865 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.81409508505946
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.41906071819362
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.302839982893
+variable        y0 equal ${yi}
+variable        y0 equal 0.902523060548633
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.334790361311
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 0.97467588971886
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     685   -2.9871562   -1.5428288   -1.5092865 
+     686   -2.9871562   -1.5428288   -1.5353222 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 20 x ${x0}
+set atom 20 x 10.302839982893
+  1 settings made for x
+set atom $i y ${y0}
+set atom 20 y ${y0}
+set atom 20 y 0.902523060548633
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0538676500320435
+variable        y0 equal ${yi}
+variable        y0 equal 1.89676245830125
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x 0.109127748012543
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 1.90195738456315
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     686   -2.9871562   -1.5428288   -1.5353222 
+     687   -2.9871562   -1.5428288   -1.5180551 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 21 x ${x0}
+set atom 21 x 0.0538676500320435
+  1 settings made for x
+set atom $i y ${y0}
+set atom 21 y ${y0}
+set atom 21 y 1.89676245830125
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 68
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80639883795863
+variable        y0 equal ${yi}
+variable        y0 equal 6.64886432425013
+
+set             atom $i x ${xnew}
+set             atom 68 x ${xnew}
+set             atom 68 x 3.85495240012294
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 68 y ${ynew}
+set             atom 68 y 6.60158496633997
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     687   -2.9871562   -1.5428288   -1.5180551 
+     688   -2.9871562   -1.5428288   -1.5638068 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.56380679488604
+variable naccept equal ${increment}
+variable naccept equal 228
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 24
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.58777606367846
+variable        y0 equal ${yi}
+variable        y0 equal 2.84301091405252
+
+set             atom $i x ${xnew}
+set             atom 24 x ${xnew}
+set             atom 24 x 1.66311051726122
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 24 y ${ynew}
+set             atom 24 y 2.84872870417932
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     688   -2.9871562   -1.5638068   -1.5638068 
+     689   -2.9871562   -1.5638068   -1.5723919 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.57239188275382
+variable naccept equal ${increment}
+variable naccept equal 229
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.97641189375564
+variable        y0 equal ${yi}
+variable        y0 equal 2.79607654782632
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 6.96819095888778
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.85498608323434
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     689   -2.9871562   -1.5723919   -1.5723919 
+     690   -2.9871562   -1.5723919   -1.5794222 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.57942219358855
+variable naccept equal ${increment}
+variable naccept equal 230
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 93
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.38658518313486
+variable        y0 equal ${yi}
+variable        y0 equal 7.46601674881243
+
+set             atom $i x ${xnew}
+set             atom 93 x ${xnew}
+set             atom 93 x 6.38228197812159
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 93 y ${ynew}
+set             atom 93 y 7.37301745739245
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     690   -2.9871562   -1.5794222   -1.5794222 
+     691   -2.9871562   -1.5794222   -1.4711197 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 93 x ${x0}
+set atom 93 x 6.38658518313486
+  1 settings made for x
+set atom $i y ${y0}
+set atom 93 y ${y0}
+set atom 93 y 7.46601674881243
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6798384984188
+variable        y0 equal ${yi}
+variable        y0 equal 5.47642980759339
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x 10.6911063273601
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.45732250158982
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     691   -2.9871562   -1.5794222   -1.4711197 
+     692   -2.9871562   -1.5794222   -1.5795996 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.57959963399638
+variable naccept equal ${increment}
+variable naccept equal 231
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.62032703041811
+variable        y0 equal ${yi}
+variable        y0 equal 0.920044656503527
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.62696895479937
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 0.956307740915148
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     692   -2.9871562   -1.5795996   -1.5795996 
+     693   -2.9871562   -1.5795996   -1.5762743 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 4 x ${x0}
+set atom 4 x 1.62032703041811
+  1 settings made for x
+set atom $i y ${y0}
+set atom 4 y ${y0}
+set atom 4 y 0.920044656503527
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 82
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.44764589826193
+variable        y0 equal ${yi}
+variable        y0 equal 8.32563534893091
+
+set             atom $i x ${xnew}
+set             atom 82 x ${xnew}
+set             atom 82 x 0.476495249668027
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 82 y ${ynew}
+set             atom 82 y 8.23766961015756
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     693   -2.9871562   -1.5795996   -1.5762743 
+     694   -2.9871562   -1.5795996   -1.5647187 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 82 x ${x0}
+set atom 82 x 0.44764589826193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 82 y ${y0}
+set atom 82 y 8.32563534893091
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 12
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.89277292449466
+variable        y0 equal ${yi}
+variable        y0 equal 0.861734314668505
+
+set             atom $i x ${xnew}
+set             atom 12 x ${xnew}
+set             atom 12 x 5.81250222880832
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 12 y ${ynew}
+set             atom 12 y 0.959874435174792
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     694   -2.9871562   -1.5795996   -1.5647187 
+     695   -2.9871562   -1.5795996   -1.5798955 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.57989552020751
+variable naccept equal ${increment}
+variable naccept equal 232
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 95
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.50331240732442
+variable        y0 equal ${yi}
+variable        y0 equal 7.44483136263156
+
+set             atom $i x ${xnew}
+set             atom 95 x ${xnew}
+set             atom 95 x 7.49781333048116
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 95 y ${ynew}
+set             atom 95 y 7.4375419887569
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     695   -2.9871562   -1.5798955   -1.5798955 
+     696   -2.9871562   -1.5798955   -1.5767902 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 95 x ${x0}
+set atom 95 x 7.50331240732442
+  1 settings made for x
+set atom $i y ${y0}
+set atom 95 y ${y0}
+set atom 95 y 7.44483136263156
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.89360781310894
+variable        y0 equal ${yi}
+variable        y0 equal 0.970815511453479
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 7.9541184008012
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 1.00244937728676
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     696   -2.9871562   -1.5798955   -1.5767902 
+     697   -2.9871562   -1.5798955   -1.5617974 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 16 x ${x0}
+set atom 16 x 7.89360781310894
+  1 settings made for x
+set atom $i y ${y0}
+set atom 16 y ${y0}
+set atom 16 y 0.970815511453479
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 56
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.0944710194955
+variable        y0 equal ${yi}
+variable        y0 equal 4.65609761828349
+
+set             atom $i x ${xnew}
+set             atom 56 x ${xnew}
+set             atom 56 x 8.06611787675716
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 56 y ${ynew}
+set             atom 56 y 4.67376009577678
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     697   -2.9871562   -1.5798955   -1.5617974 
+     698   -2.9871562   -1.5798955   -1.5799326 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.57993262563053
+variable naccept equal ${increment}
+variable naccept equal 233
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.11236243842937
+variable        y0 equal ${yi}
+variable        y0 equal 8.24853718198832
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.19340493081905
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.21717744983729
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     698   -2.9871562   -1.5799326   -1.5799326 
+     699   -2.9871562   -1.5799326   -1.5348958 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.11236243842937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.24853718198832
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.49239535489503
+variable        y0 equal ${yi}
+variable        y0 equal 3.71645880503785
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.4657503382248
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.71776780648362
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     699   -2.9871562   -1.5799326   -1.5348958 
+     700   -2.9871562   -1.5799326    -1.572602 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 57 x ${x0}
+set atom 57 x 8.49239535489503
+  1 settings made for x
+set atom $i y ${y0}
+set atom 57 y ${y0}
+set atom 57 y 3.71645880503785
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 41
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0739950656890791
+variable        y0 equal ${yi}
+variable        y0 equal 3.67012049718035
+
+set             atom $i x ${xnew}
+set             atom 41 x ${xnew}
+set             atom 41 x -0.0225914359092791
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 41 y ${ynew}
+set             atom 41 y 3.57947902245653
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     700   -2.9871562   -1.5799326    -1.572602 
+     701   -2.9871562   -1.5799326   -1.5289998 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 41 x ${x0}
+set atom 41 x 0.0739950656890791
+  1 settings made for x
+set atom $i y ${y0}
+set atom 41 y ${y0}
+set atom 41 y 3.67012049718035
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.49241850216161
+variable        y0 equal ${yi}
+variable        y0 equal 3.62302048964632
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.51275517780553
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.68194531960619
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     701   -2.9871562   -1.5799326   -1.5289998 
+     702   -2.9871562   -1.5799326   -1.5949064 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.59490640873723
+variable naccept equal ${increment}
+variable naccept equal 234
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.4157506708166
+variable        y0 equal ${yi}
+variable        y0 equal 6.43439372316829
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.4132836226484
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.48601012960902
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     702   -2.9871562   -1.5949064   -1.5949064 
+     703   -2.9871562   -1.5949064   -1.5889618 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 80 x ${x0}
+set atom 80 x 10.4157506708166
+  1 settings made for x
+set atom $i y ${y0}
+set atom 80 y ${y0}
+set atom 80 y 6.43439372316829
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.42581077654135
+variable        y0 equal ${yi}
+variable        y0 equal 0.00200206041336068
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.34387720663321
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y 0.0551467657089234
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     703   -2.9871562   -1.5949064   -1.5889618 
+     704   -2.9871562   -1.5949064   -1.5900979 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 15 x ${x0}
+set atom 15 x 7.42581077654135
+  1 settings made for x
+set atom $i y ${y0}
+set atom 15 y ${y0}
+set atom 15 y 0.00200206041336068
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.50235789218808
+variable        y0 equal ${yi}
+variable        y0 equal 3.73372400565278
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.50713398853207
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.75840978188645
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     704   -2.9871562   -1.5949064   -1.5900979 
+     705   -2.9871562   -1.5949064   -1.5801183 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 51 x ${x0}
+set atom 51 x 5.50235789218808
+  1 settings made for x
+set atom $i y ${y0}
+set atom 51 y ${y0}
+set atom 51 y 3.73372400565278
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.81409508505946
+variable        y0 equal ${yi}
+variable        y0 equal 8.41906071819362
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.72313428441172
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.50924178279933
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     705   -2.9871562   -1.5949064   -1.5801183 
+     706   -2.9871562   -1.5949064   -1.5436291 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.81409508505946
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.41906071819362
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 76
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.12744101880885
+variable        y0 equal ${yi}
+variable        y0 equal 6.56631985441675
+
+set             atom $i x ${xnew}
+set             atom 76 x ${xnew}
+set             atom 76 x 8.20870062707759
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 76 y ${ynew}
+set             atom 76 y 6.57427093521585
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     706   -2.9871562   -1.5949064   -1.5436291 
+     707   -2.9871562   -1.5949064   -1.5646234 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 76 x ${x0}
+set atom 76 x 8.12744101880885
+  1 settings made for x
+set atom $i y ${y0}
+set atom 76 y ${y0}
+set atom 76 y 6.56631985441675
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.50189744391863
+variable        y0 equal ${yi}
+variable        y0 equal 5.62625844423967
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.55546174207155
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.67337435429292
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     707   -2.9871562   -1.5949064   -1.5646234 
+     708   -2.9871562   -1.5949064   -1.5952118 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.59521182279004
+variable naccept equal ${increment}
+variable naccept equal 235
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.50235789218808
+variable        y0 equal ${yi}
+variable        y0 equal 3.73372400565278
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.51281969943906
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.68009410662782
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     708   -2.9871562   -1.5952118   -1.5952118 
+     709   -2.9871562   -1.5952118   -1.5808686 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 51 x ${x0}
+set atom 51 x 5.50235789218808
+  1 settings made for x
+set atom $i y ${y0}
+set atom 51 y ${y0}
+set atom 51 y 3.73372400565278
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 100
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1610254410764
+variable        y0 equal ${yi}
+variable        y0 equal 8.2609955064207
+
+set             atom $i x ${xnew}
+set             atom 100 x ${xnew}
+set             atom 100 x 10.1810870651265
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 100 y ${ynew}
+set             atom 100 y 8.19933904327449
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     709   -2.9871562   -1.5952118   -1.5808686 
+     710   -2.9871562   -1.5952118   -1.5762137 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 100 x ${x0}
+set atom 100 x 10.1610254410764
+  1 settings made for x
+set atom $i y ${y0}
+set atom 100 y ${y0}
+set atom 100 y 8.2609955064207
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.38908102591248
+variable        y0 equal ${yi}
+variable        y0 equal 5.51644262020785
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.3687668450615
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.52732812111575
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     710   -2.9871562   -1.5952118   -1.5762137 
+     711   -2.9871562   -1.5952118    -1.595765 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.59576499617591
+variable naccept equal ${increment}
+variable naccept equal 236
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 74
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.1464075712268
+variable        y0 equal ${yi}
+variable        y0 equal 6.56554357544413
+
+set             atom $i x ${xnew}
+set             atom 74 x ${xnew}
+set             atom 74 x 7.23013606348678
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 74 y ${ynew}
+set             atom 74 y 6.51990543142786
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     711   -2.9871562    -1.595765    -1.595765 
+     712   -2.9871562    -1.595765   -1.5235668 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 74 x ${x0}
+set atom 74 x 7.1464075712268
+  1 settings made for x
+set atom $i y ${y0}
+set atom 74 y ${y0}
+set atom 74 y 6.56554357544413
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.14655829985791
+variable        y0 equal ${yi}
+variable        y0 equal 7.47608772840762
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.15936544259244
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.53503431406283
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     712   -2.9871562    -1.595765   -1.5235668 
+     713   -2.9871562    -1.595765   -1.5829051 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.14655829985791
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.47608772840762
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.81409508505946
+variable        y0 equal ${yi}
+variable        y0 equal 8.41906071819362
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.86775627652293
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.37060685075816
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     713   -2.9871562    -1.595765   -1.5829051 
+     714   -2.9871562    -1.595765   -1.5503215 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.81409508505946
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.41906071819362
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 93
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.38658518313486
+variable        y0 equal ${yi}
+variable        y0 equal 7.46601674881243
+
+set             atom $i x ${xnew}
+set             atom 93 x ${xnew}
+set             atom 93 x 6.37491369961817
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 93 y ${ynew}
+set             atom 93 y 7.49044490185045
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     714   -2.9871562    -1.595765   -1.5503215 
+     715   -2.9871562    -1.595765   -1.5997881 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.59978807468615
+variable naccept equal ${increment}
+variable naccept equal 237
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.15771750847207
+variable        y0 equal ${yi}
+variable        y0 equal 7.45649659958148
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.24897256533013
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.53692699995303
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     715   -2.9871562   -1.5997881   -1.5997881 
+     716   -2.9871562   -1.5997881   -1.5789076 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.15771750847207
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.45649659958148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.01127850452766
+variable        y0 equal ${yi}
+variable        y0 equal 9.27465030658572
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 1.92375337520942
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y 9.19612406003802
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     716   -2.9871562   -1.5997881   -1.5789076 
+     717   -2.9871562   -1.5997881   -1.4824054 
+Loop time of 6.91414e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 5 x ${x0}
+set atom 5 x 2.01127850452766
+  1 settings made for x
+set atom $i y ${y0}
+set atom 5 y ${y0}
+set atom 5 y 9.27465030658572
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.55546174207155
+variable        y0 equal ${yi}
+variable        y0 equal 5.67337435429292
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.55568831124727
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.65434912388521
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     717   -2.9871562   -1.5997881   -1.4824054 
+     718   -2.9871562   -1.5997881   -1.5950012 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 77 x ${x0}
+set atom 77 x 8.55546174207155
+  1 settings made for x
+set atom $i y ${y0}
+set atom 77 y ${y0}
+set atom 77 y 5.67337435429292
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.79853938141947
+variable        y0 equal ${yi}
+variable        y0 equal 4.56348908299372
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.79677430907374
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.52313697689936
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     718   -2.9871562   -1.5997881   -1.5950012 
+     719   -2.9871562   -1.5997881   -1.5785608 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 48 x ${x0}
+set atom 48 x 3.79853938141947
+  1 settings made for x
+set atom $i y ${y0}
+set atom 48 y ${y0}
+set atom 48 y 4.56348908299372
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 62
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.670342476764585
+variable        y0 equal ${yi}
+variable        y0 equal 6.59568084017267
+
+set             atom $i x ${xnew}
+set             atom 62 x ${xnew}
+set             atom 62 x 0.636793156066801
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 62 y ${ynew}
+set             atom 62 y 6.69270237223139
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     719   -2.9871562   -1.5997881   -1.5785608 
+     720   -2.9871562   -1.5997881   -1.5227031 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 62 x ${x0}
+set atom 62 x 0.670342476764585
+  1 settings made for x
+set atom $i y ${y0}
+set atom 62 y ${y0}
+set atom 62 y 6.59568084017267
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 3
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.926390245754054
+variable        y0 equal ${yi}
+variable        y0 equal 9.23904097783893
+
+set             atom $i x ${xnew}
+set             atom 3 x ${xnew}
+set             atom 3 x 0.931894794303706
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 3 y ${ynew}
+set             atom 3 y 9.18481475818485
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     720   -2.9871562   -1.5997881   -1.5227031 
+     721   -2.9871562   -1.5997881    -1.589362 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 3 x ${x0}
+set atom 3 x 0.926390245754054
+  1 settings made for x
+set atom $i y ${y0}
+set atom 3 y ${y0}
+set atom 3 y 9.23904097783893
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.35225354511948
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.46941865627963
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     721   -2.9871562   -1.5997881    -1.589362 
+     722   -2.9871562   -1.5997881   -1.5967048 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.15834543148385
+variable        y0 equal ${yi}
+variable        y0 equal 1.95142827413148
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.07551352421151
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.92978098771638
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     722   -2.9871562   -1.5997881   -1.5967048 
+     723   -2.9871562   -1.5997881   -1.5696155 
+Loop time of 5.00679e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.15834543148385
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.95142827413148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.70111999392291
+variable        y0 equal ${yi}
+variable        y0 equal 6.45056509510509
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.64984414458056
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.45684722200862
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     723   -2.9871562   -1.5997881   -1.5696155 
+     724   -2.9871562   -1.5997881   -1.5938164 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.70111999392291
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.45056509510509
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.8845204738681
+variable        y0 equal ${yi}
+variable        y0 equal 1.04688491414817
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.87697189131424
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 1.08924629281791
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     724   -2.9871562   -1.5997881   -1.5938164 
+     725   -2.9871562   -1.5997881   -1.5698286 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 14 x ${x0}
+set atom 14 x 6.8845204738681
+  1 settings made for x
+set atom $i y ${y0}
+set atom 14 y ${y0}
+set atom 14 y 1.04688491414817
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.39214122374269
+variable        y0 equal ${yi}
+variable        y0 equal 7.32321853962206
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.37566744168016
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.37287323799395
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     725   -2.9871562   -1.5997881   -1.5698286 
+     726   -2.9871562   -1.5997881   -1.6309361 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.63093606699069
+variable naccept equal ${increment}
+variable naccept equal 238
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.96819095888778
+variable        y0 equal ${yi}
+variable        y0 equal 2.85498608323434
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 6.87445746937438
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.88949005576471
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     726   -2.9871562   -1.6309361   -1.6309361 
+     727   -2.9871562   -1.6309361   -1.5887142 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 34 x ${x0}
+set atom 34 x 6.96819095888778
+  1 settings made for x
+set atom $i y ${y0}
+set atom 34 y ${y0}
+set atom 34 y 2.85498608323434
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.648263963049
+variable        y0 equal ${yi}
+variable        y0 equal 9.2079006861481
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x 10.6932178576642
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 9.1674089978966
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     727   -2.9871562   -1.6309361   -1.5887142 
+     728   -2.9871562   -1.6309361   -1.6081572 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 1 x ${x0}
+set atom 1 x 10.648263963049
+  1 settings made for x
+set atom $i y ${y0}
+set atom 1 y ${y0}
+set atom 1 y 9.2079006861481
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 42
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.452082355419064
+variable        y0 equal ${yi}
+variable        y0 equal 4.6216128265278
+
+set             atom $i x ${xnew}
+set             atom 42 x ${xnew}
+set             atom 42 x 0.352174837985897
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 42 y ${ynew}
+set             atom 42 y 4.58545073622629
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     728   -2.9871562   -1.6309361   -1.6081572 
+     729   -2.9871562   -1.6309361   -1.5894197 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 42 x ${x0}
+set atom 42 x 0.452082355419064
+  1 settings made for x
+set atom $i y ${y0}
+set atom 42 y ${y0}
+set atom 42 y 4.6216128265278
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 32
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.90086858232013
+variable        y0 equal ${yi}
+variable        y0 equal 2.85332814427712
+
+set             atom $i x ${xnew}
+set             atom 32 x ${xnew}
+set             atom 32 x 5.93153694827548
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 32 y ${ynew}
+set             atom 32 y 2.93547909232476
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     729   -2.9871562   -1.6309361   -1.5894197 
+     730   -2.9871562   -1.6309361   -1.5918897 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 32 x ${x0}
+set atom 32 x 5.90086858232013
+  1 settings made for x
+set atom $i y ${y0}
+set atom 32 y ${y0}
+set atom 32 y 2.85332814427712
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 99
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.79539506910918
+variable        y0 equal ${yi}
+variable        y0 equal 7.31491797294879
+
+set             atom $i x ${xnew}
+set             atom 99 x ${xnew}
+set             atom 99 x 9.87459151028273
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 99 y ${ynew}
+set             atom 99 y 7.35500833120608
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     730   -2.9871562   -1.6309361   -1.5918897 
+     731   -2.9871562   -1.6309361   -1.5662481 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 99 x ${x0}
+set atom 99 x 9.79539506910918
+  1 settings made for x
+set atom $i y ${y0}
+set atom 99 y ${y0}
+set atom 99 y 7.31491797294879
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 30
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.8951647126609
+variable        y0 equal ${yi}
+variable        y0 equal 2.85868977280953
+
+set             atom $i x ${xnew}
+set             atom 30 x ${xnew}
+set             atom 30 x 4.97432236313163
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 30 y ${ynew}
+set             atom 30 y 2.95785394879677
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     731   -2.9871562   -1.6309361   -1.5662481 
+     732   -2.9871562   -1.6309361   -1.5594316 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 30 x ${x0}
+set atom 30 x 4.8951647126609
+  1 settings made for x
+set atom $i y ${y0}
+set atom 30 y ${y0}
+set atom 30 y 2.85868977280953
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.30100279251004
+variable        y0 equal ${yi}
+variable        y0 equal 7.47468527879977
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.27791930833722
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.41208495226168
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     732   -2.9871562   -1.6309361   -1.5594316 
+     733   -2.9871562   -1.6309361   -1.6109916 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 91 x ${x0}
+set atom 91 x 5.30100279251004
+  1 settings made for x
+set atom $i y ${y0}
+set atom 91 y ${y0}
+set atom 91 y 7.47468527879977
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 26
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.66067210634184
+variable        y0 equal ${yi}
+variable        y0 equal 2.84075683328011
+
+set             atom $i x ${xnew}
+set             atom 26 x ${xnew}
+set             atom 26 x 2.60243755777311
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 26 y ${ynew}
+set             atom 26 y 2.88605238171914
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     733   -2.9871562   -1.6309361   -1.6109916 
+     734   -2.9871562   -1.6309361   -1.6019794 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 26 x ${x0}
+set atom 26 x 2.66067210634184
+  1 settings made for x
+set atom $i y ${y0}
+set atom 26 y ${y0}
+set atom 26 y 2.84075683328011
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.05527156868621
+variable        y0 equal ${yi}
+variable        y0 equal 4.53311400765344
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 6.95808832922622
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.50529096478387
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     734   -2.9871562   -1.6309361   -1.6019794 
+     735   -2.9871562   -1.6309361   -1.5682676 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.05527156868621
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.53311400765344
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.70111999392291
+variable        y0 equal ${yi}
+variable        y0 equal 6.45056509510509
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.79266776919146
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.5215831352853
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     735   -2.9871562   -1.6309361   -1.5682676 
+     736   -2.9871562   -1.6309361   -1.6140282 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.70111999392291
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.45056509510509
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.51275517780553
+variable        y0 equal ${yi}
+variable        y0 equal 3.68194531960619
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.46207572061788
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.77484983964098
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     736   -2.9871562   -1.6309361   -1.6140282 
+     737   -2.9871562   -1.6309361   -1.5014073 
+Loop time of 7.79629e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 55 x ${x0}
+set atom 55 x 7.51275517780553
+  1 settings made for x
+set atom $i y ${y0}
+set atom 55 y ${y0}
+set atom 55 y 3.68194531960619
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 39
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.48253180264112
+variable        y0 equal ${yi}
+variable        y0 equal 1.83061694285935
+
+set             atom $i x ${xnew}
+set             atom 39 x ${xnew}
+set             atom 39 x 9.5227473544943
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 39 y ${ynew}
+set             atom 39 y 1.87318107268876
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     737   -2.9871562   -1.6309361   -1.5014073 
+     738   -2.9871562   -1.6309361   -1.6208032 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 39 x ${x0}
+set atom 39 x 9.48253180264112
+  1 settings made for x
+set atom $i y ${y0}
+set atom 39 y ${y0}
+set atom 39 y 1.83061694285935
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 62
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.670342476764585
+variable        y0 equal ${yi}
+variable        y0 equal 6.59568084017267
+
+set             atom $i x ${xnew}
+set             atom 62 x ${xnew}
+set             atom 62 x 0.633673818508054
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 62 y ${ynew}
+set             atom 62 y 6.63929970995416
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     738   -2.9871562   -1.6309361   -1.6208032 
+     739   -2.9871562   -1.6309361   -1.6032552 
+Loop time of 8.4877e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 62 x ${x0}
+set atom 62 x 0.670342476764585
+  1 settings made for x
+set atom $i y ${y0}
+set atom 62 y ${y0}
+set atom 62 y 6.59568084017267
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.70111999392291
+variable        y0 equal ${yi}
+variable        y0 equal 6.45056509510509
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.64127092242022
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.40492994324199
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     739   -2.9871562   -1.6309361   -1.6032552 
+     740   -2.9871562   -1.6309361   -1.6196612 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.70111999392291
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.45056509510509
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 67
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.3012590146021
+variable        y0 equal ${yi}
+variable        y0 equal 5.54728171770769
+
+set             atom $i x ${xnew}
+set             atom 67 x ${xnew}
+set             atom 67 x 3.24710569142858
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 67 y ${ynew}
+set             atom 67 y 5.61021871512132
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     740   -2.9871562   -1.6309361   -1.6196612 
+     741   -2.9871562   -1.6309361   -1.6231284 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 67 x ${x0}
+set atom 67 x 3.3012590146021
+  1 settings made for x
+set atom $i y ${y0}
+set atom 67 y ${y0}
+set atom 67 y 5.54728171770769
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.37566744168016
+variable        y0 equal ${yi}
+variable        y0 equal 7.37287323799395
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.36479252655717
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.37975311603808
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     741   -2.9871562   -1.6309361   -1.6231284 
+     742   -2.9871562   -1.6309361   -1.6384165 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.63841648317525
+variable naccept equal ${increment}
+variable naccept equal 239
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0538676500320435
+variable        y0 equal ${yi}
+variable        y0 equal 1.89676245830125
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x 0.00301411151885991
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 1.98519864461488
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     742   -2.9871562   -1.6384165   -1.6384165 
+     743   -2.9871562   -1.6384165   -1.6092129 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 21 x ${x0}
+set atom 21 x 0.0538676500320435
+  1 settings made for x
+set atom $i y ${y0}
+set atom 21 y ${y0}
+set atom 21 y 1.89676245830125
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 39
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.48253180264112
+variable        y0 equal ${yi}
+variable        y0 equal 1.83061694285935
+
+set             atom $i x ${xnew}
+set             atom 39 x ${xnew}
+set             atom 39 x 9.49739758251783
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 39 y ${ynew}
+set             atom 39 y 1.84610255143708
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     743   -2.9871562   -1.6384165   -1.6092129 
+     744   -2.9871562   -1.6384165   -1.6365705 
+Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 39 x ${x0}
+set atom 39 x 9.48253180264112
+  1 settings made for x
+set atom $i y ${y0}
+set atom 39 y ${y0}
+set atom 39 y 1.83061694285935
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 56
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.06611787675716
+variable        y0 equal ${yi}
+variable        y0 equal 4.67376009577678
+
+set             atom $i x ${xnew}
+set             atom 56 x ${xnew}
+set             atom 56 x 8.08665764926769
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 56 y ${ynew}
+set             atom 56 y 4.64979454630779
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     744   -2.9871562   -1.6384165   -1.6365705 
+     745   -2.9871562   -1.6384165   -1.6370073 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 56 x ${x0}
+set atom 56 x 8.06611787675716
+  1 settings made for x
+set atom $i y ${y0}
+set atom 56 y ${y0}
+set atom 56 y 4.67376009577678
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.24420675992527
+variable        y0 equal ${yi}
+variable        y0 equal 3.73567457957399
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.30047476052799
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.8175493435396
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     745   -2.9871562   -1.6384165   -1.6370073 
+     746   -2.9871562   -1.6384165   -1.5649235 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 47 x ${x0}
+set atom 47 x 3.24420675992527
+  1 settings made for x
+set atom $i y ${y0}
+set atom 47 y ${y0}
+set atom 47 y 3.73567457957399
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.65167639136096
+variable        y0 equal ${yi}
+variable        y0 equal 4.64821097010537
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.61125521540423
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.63791933411523
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     746   -2.9871562   -1.6384165   -1.5649235 
+     747   -2.9871562   -1.6384165   -1.6429005 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.6429004823848
+variable naccept equal ${increment}
+variable naccept equal 240
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 3
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.926390245754054
+variable        y0 equal ${yi}
+variable        y0 equal 9.23904097783893
+
+set             atom $i x ${xnew}
+set             atom 3 x ${xnew}
+set             atom 3 x 1.01112441142254
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 3 y ${ynew}
+set             atom 3 y 9.18457223880618
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     747   -2.9871562   -1.6429005   -1.6429005 
+     748   -2.9871562   -1.6429005   -1.6335341 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 3 x ${x0}
+set atom 3 x 0.926390245754054
+  1 settings made for x
+set atom $i y ${y0}
+set atom 3 y ${y0}
+set atom 3 y 9.23904097783893
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 37
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.49348578610842
+variable        y0 equal ${yi}
+variable        y0 equal 1.80821938893861
+
+set             atom $i x ${xnew}
+set             atom 37 x ${xnew}
+set             atom 37 x 8.4640166060013
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 37 y ${ynew}
+set             atom 37 y 1.83354952714509
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     748   -2.9871562   -1.6429005   -1.6335341 
+     749   -2.9871562   -1.6429005   -1.6350647 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 37 x ${x0}
+set atom 37 x 8.49348578610842
+  1 settings made for x
+set atom $i y ${y0}
+set atom 37 y ${y0}
+set atom 37 y 1.80821938893861
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 66
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.78488953311874
+variable        y0 equal ${yi}
+variable        y0 equal 6.49416505829325
+
+set             atom $i x ${xnew}
+set             atom 66 x ${xnew}
+set             atom 66 x 2.85556197364761
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 66 y ${ynew}
+set             atom 66 y 6.57259013191691
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     749   -2.9871562   -1.6429005   -1.6350647 
+     750   -2.9871562   -1.6429005   -1.6059406 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 66 x ${x0}
+set atom 66 x 2.78488953311874
+  1 settings made for x
+set atom $i y ${y0}
+set atom 66 y ${y0}
+set atom 66 y 6.49416505829325
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.648263963049
+variable        y0 equal ${yi}
+variable        y0 equal 9.2079006861481
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x 10.7310548265629
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 9.11376322019427
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     750   -2.9871562   -1.6429005   -1.6059406 
+     751   -2.9871562   -1.6429005   -1.5573738 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 1 x ${x0}
+set atom 1 x 10.648263963049
+  1 settings made for x
+set atom $i y ${y0}
+set atom 1 y ${y0}
+set atom 1 y 9.2079006861481
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 49
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.29979468662949
+variable        y0 equal ${yi}
+variable        y0 equal 3.68506254716051
+
+set             atom $i x ${xnew}
+set             atom 49 x ${xnew}
+set             atom 49 x 4.25260524828644
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 49 y ${ynew}
+set             atom 49 y 3.6036994890703
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     751   -2.9871562   -1.6429005   -1.5573738 
+     752   -2.9871562   -1.6429005   -1.5029427 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 49 x ${x0}
+set atom 49 x 4.29979468662949
+  1 settings made for x
+set atom $i y ${y0}
+set atom 49 y ${y0}
+set atom 49 y 3.68506254716051
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 38
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.13396360594779
+variable        y0 equal ${yi}
+variable        y0 equal 2.69964367123941
+
+set             atom $i x ${xnew}
+set             atom 38 x ${xnew}
+set             atom 38 x 9.17293971497565
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 38 y ${ynew}
+set             atom 38 y 2.77695646258691
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     752   -2.9871562   -1.6429005   -1.5029427 
+     753   -2.9871562   -1.6429005   -1.6546468 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.6546468449581
+variable naccept equal ${increment}
+variable naccept equal 241
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 41
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0739950656890791
+variable        y0 equal ${yi}
+variable        y0 equal 3.67012049718035
+
+set             atom $i x ${xnew}
+set             atom 41 x ${xnew}
+set             atom 41 x 0.107910585403435
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 41 y ${ynew}
+set             atom 41 y 3.6900085525049
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     753   -2.9871562   -1.6546468   -1.6546468 
+     754   -2.9871562   -1.6546468    -1.634987 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 41 x ${x0}
+set atom 41 x 0.0739950656890791
+  1 settings made for x
+set atom $i y ${y0}
+set atom 41 y ${y0}
+set atom 41 y 3.67012049718035
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 95
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.50331240732442
+variable        y0 equal ${yi}
+variable        y0 equal 7.44483136263156
+
+set             atom $i x ${xnew}
+set             atom 95 x ${xnew}
+set             atom 95 x 7.52695003587972
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 95 y ${ynew}
+set             atom 95 y 7.54054437008166
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     754   -2.9871562   -1.6546468    -1.634987 
+     755   -2.9871562   -1.6546468   -1.5951135 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 95 x ${x0}
+set atom 95 x 7.50331240732442
+  1 settings made for x
+set atom $i y ${y0}
+set atom 95 y ${y0}
+set atom 95 y 7.44483136263156
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 94
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.0883078245227
+variable        y0 equal ${yi}
+variable        y0 equal 8.34910107769069
+
+set             atom $i x ${xnew}
+set             atom 94 x ${xnew}
+set             atom 94 x 7.01762646713897
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 94 y ${ynew}
+set             atom 94 y 8.4145590535551
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     755   -2.9871562   -1.6546468   -1.5951135 
+     756   -2.9871562   -1.6546468   -1.6640279 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.66402790900867
+variable naccept equal ${increment}
+variable naccept equal 242
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.83310471732608
+variable        y0 equal ${yi}
+variable        y0 equal 8.3484317771345
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.75920706946841
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.33910961069163
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     756   -2.9871562   -1.6640279   -1.6640279 
+     757   -2.9871562   -1.6640279   -1.6505606 
+Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 92 x ${x0}
+set atom 92 x 5.83310471732608
+  1 settings made for x
+set atom $i y ${y0}
+set atom 92 y ${y0}
+set atom 92 y 8.3484317771345
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.49239535489503
+variable        y0 equal ${yi}
+variable        y0 equal 3.71645880503785
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.42614015498582
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.74090543551576
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     757   -2.9871562   -1.6640279   -1.6505606 
+     758   -2.9871562   -1.6640279   -1.6162137 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 57 x ${x0}
+set atom 57 x 8.49239535489503
+  1 settings made for x
+set atom $i y ${y0}
+set atom 57 y ${y0}
+set atom 57 y 3.71645880503785
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.28535579521867
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.60561752264697
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     758   -2.9871562   -1.6640279   -1.6162137 
+     759   -2.9871562   -1.6640279   -1.6501889 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.636496813693905
+variable        y0 equal ${yi}
+variable        y0 equal 2.67731568786004
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.545649071136379
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.77431966039041
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     759   -2.9871562   -1.6640279   -1.6501889 
+     760   -2.9871562   -1.6640279   -1.6779591 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.67795914459641
+variable naccept equal ${increment}
+variable naccept equal 243
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 33
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.40621244429666
+variable        y0 equal ${yi}
+variable        y0 equal 2.0462150373227
+
+set             atom $i x ${xnew}
+set             atom 33 x ${xnew}
+set             atom 33 x 6.32293939112741
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 33 y ${ynew}
+set             atom 33 y 2.12733689925736
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     760   -2.9871562   -1.6779591   -1.6779591 
+     761   -2.9871562   -1.6779591   -1.5222415 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 33 x ${x0}
+set atom 33 x 6.40621244429666
+  1 settings made for x
+set atom $i y ${y0}
+set atom 33 y ${y0}
+set atom 33 y 2.0462150373227
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.55546174207155
+variable        y0 equal ${yi}
+variable        y0 equal 5.67337435429292
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.64769586482469
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.74426633064943
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     761   -2.9871562   -1.6779591   -1.5222415 
+     762   -2.9871562   -1.6779591   -1.6547052 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 77 x ${x0}
+set atom 77 x 8.55546174207155
+  1 settings made for x
+set atom $i y ${y0}
+set atom 77 y ${y0}
+set atom 77 y 5.67337435429292
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.2262481812498
+variable        y0 equal ${yi}
+variable        y0 equal 2.83032892915109
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.2805674914381
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.92251808616021
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     762   -2.9871562   -1.6779591   -1.6547052 
+     763   -2.9871562   -1.6779591   -1.6263292 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.2262481812498
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.83032892915109
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 3
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.926390245754054
+variable        y0 equal ${yi}
+variable        y0 equal 9.23904097783893
+
+set             atom $i x ${xnew}
+set             atom 3 x ${xnew}
+set             atom 3 x 0.92786357720547
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 3 y ${ynew}
+set             atom 3 y 9.21328888643115
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     763   -2.9871562   -1.6779591   -1.6263292 
+     764   -2.9871562   -1.6779591   -1.6741133 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 3 x ${x0}
+set atom 3 x 0.926390245754054
+  1 settings made for x
+set atom $i y ${y0}
+set atom 3 y ${y0}
+set atom 3 y 9.23904097783893
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 33
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.40621244429666
+variable        y0 equal ${yi}
+variable        y0 equal 2.0462150373227
+
+set             atom $i x ${xnew}
+set             atom 33 x ${xnew}
+set             atom 33 x 6.41822359084207
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 33 y ${ynew}
+set             atom 33 y 2.02412909648484
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     764   -2.9871562   -1.6779591   -1.6741133 
+     765   -2.9871562   -1.6779591   -1.6750439 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 33 x ${x0}
+set atom 33 x 6.40621244429666
+  1 settings made for x
+set atom $i y ${y0}
+set atom 33 y ${y0}
+set atom 33 y 2.0462150373227
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.2262481812498
+variable        y0 equal ${yi}
+variable        y0 equal 2.83032892915109
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.1586026314756
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.84872714253763
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     765   -2.9871562   -1.6779591   -1.6750439 
+     766   -2.9871562   -1.6779591   -1.6684633 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.2262481812498
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.83032892915109
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 60
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1148146752378
+variable        y0 equal ${yi}
+variable        y0 equal 4.54698911065027
+
+set             atom $i x ${xnew}
+set             atom 60 x ${xnew}
+set             atom 60 x 10.0152510050794
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 60 y ${ynew}
+set             atom 60 y 4.55071063393518
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     766   -2.9871562   -1.6779591   -1.6684633 
+     767   -2.9871562   -1.6779591   -1.6399939 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 60 x ${x0}
+set atom 60 x 10.1148146752378
+  1 settings made for x
+set atom $i y ${y0}
+set atom 60 y ${y0}
+set atom 60 y 4.54698911065027
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.81409508505946
+variable        y0 equal ${yi}
+variable        y0 equal 8.41906071819362
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.82308257142192
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.35280972637233
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     767   -2.9871562   -1.6779591   -1.6399939 
+     768   -2.9871562   -1.6779591   -1.6724705 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.81409508505946
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.41906071819362
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.96819095888778
+variable        y0 equal ${yi}
+variable        y0 equal 2.85498608323434
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 6.98216452875777
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.84653376313546
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     768   -2.9871562   -1.6779591   -1.6724705 
+     769   -2.9871562   -1.6779591   -1.6758163 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 34 x ${x0}
+set atom 34 x 6.96819095888778
+  1 settings made for x
+set atom $i y ${y0}
+set atom 34 y ${y0}
+set atom 34 y 2.85498608323434
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.54351456640837
+variable        y0 equal ${yi}
+variable        y0 equal 3.68936000628603
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.46963265417692
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.6760610417856
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     769   -2.9871562   -1.6779591   -1.6758163 
+     770   -2.9871562   -1.6779591   -1.6493614 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 59 x ${x0}
+set atom 59 x 9.54351456640837
+  1 settings made for x
+set atom $i y ${y0}
+set atom 59 y ${y0}
+set atom 59 y 3.68936000628603
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.19388546387063
+variable        y0 equal ${yi}
+variable        y0 equal 3.77270575328004
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.1398472491871
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.79803636832368
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     770   -2.9871562   -1.6779591   -1.6493614 
+     771   -2.9871562   -1.6779591   -1.6739826 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 45 x ${x0}
+set atom 45 x 2.19388546387063
+  1 settings made for x
+set atom $i y ${y0}
+set atom 45 y ${y0}
+set atom 45 y 3.77270575328004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.49239535489503
+variable        y0 equal ${yi}
+variable        y0 equal 3.71645880503785
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.47172871985856
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.66293279690873
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     771   -2.9871562   -1.6779591   -1.6739826 
+     772   -2.9871562   -1.6779591   -1.6733275 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 57 x ${x0}
+set atom 57 x 8.49239535489503
+  1 settings made for x
+set atom $i y ${y0}
+set atom 57 y ${y0}
+set atom 57 y 3.71645880503785
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.9486086213523
+variable        y0 equal ${yi}
+variable        y0 equal 6.50839406982889
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.93018145202933
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.59526922241678
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     772   -2.9871562   -1.6779591   -1.6733275 
+     773   -2.9871562   -1.6779591   -1.6382767 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 4.9486086213523
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.50839406982889
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 35
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.31234352428687
+variable        y0 equal ${yi}
+variable        y0 equal 1.89091948649949
+
+set             atom $i x ${xnew}
+set             atom 35 x ${xnew}
+set             atom 35 x 7.33032622177375
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 35 y ${ynew}
+set             atom 35 y 1.90223668000764
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     773   -2.9871562   -1.6779591   -1.6382767 
+     774   -2.9871562   -1.6779591   -1.6889712 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.68897118738555
+variable naccept equal ${increment}
+variable naccept equal 244
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 7
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.27643877028982
+variable        y0 equal ${yi}
+variable        y0 equal 0.075750613212595
+
+set             atom $i x ${xnew}
+set             atom 7 x ${xnew}
+set             atom 7 x 3.30583195447485
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 7 y ${ynew}
+set             atom 7 y 0.119071543216715
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     774   -2.9871562   -1.6889712   -1.6889712 
+     775   -2.9871562   -1.6889712   -1.6876309 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 7 x ${x0}
+set atom 7 x 3.27643877028982
+  1 settings made for x
+set atom $i y ${y0}
+set atom 7 y ${y0}
+set atom 7 y 0.075750613212595
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 35
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.33032622177375
+variable        y0 equal ${yi}
+variable        y0 equal 1.90223668000764
+
+set             atom $i x ${xnew}
+set             atom 35 x ${xnew}
+set             atom 35 x 7.37088978130592
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 35 y ${ynew}
+set             atom 35 y 1.86757599494523
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     775   -2.9871562   -1.6889712   -1.6876309 
+     776   -2.9871562   -1.6889712   -1.7105402 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.71054017255532
+variable naccept equal ${increment}
+variable naccept equal 245
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 23
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.15155310948544
+variable        y0 equal ${yi}
+variable        y0 equal 1.8275491871602
+
+set             atom $i x ${xnew}
+set             atom 23 x ${xnew}
+set             atom 23 x 1.06295477469616
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 23 y ${ynew}
+set             atom 23 y 1.85711895606584
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     776   -2.9871562   -1.7105402   -1.7105402 
+     777   -2.9871562   -1.7105402   -1.7073895 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 23 x ${x0}
+set atom 23 x 1.15155310948544
+  1 settings made for x
+set atom $i y ${y0}
+set atom 23 y ${y0}
+set atom 23 y 1.8275491871602
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 9
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.31488733370514
+variable        y0 equal ${yi}
+variable        y0 equal 0.0164698362350535
+
+set             atom $i x ${xnew}
+set             atom 9 x ${xnew}
+set             atom 9 x 4.36862380583496
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 9 y ${ynew}
+set             atom 9 y 0.0675842165947032
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     777   -2.9871562   -1.7105402   -1.7073895 
+     778   -2.9871562   -1.7105402   -1.6921826 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 9 x ${x0}
+set atom 9 x 4.31488733370514
+  1 settings made for x
+set atom $i y ${y0}
+set atom 9 y ${y0}
+set atom 9 y 0.0164698362350535
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.42581077654135
+variable        y0 equal ${yi}
+variable        y0 equal 0.00200206041336068
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.49058282215368
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y -0.0580859661102294
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     778   -2.9871562   -1.7105402   -1.6921826 
+     779   -2.9871562   -1.7105402   -1.6998795 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 15 x ${x0}
+set atom 15 x 7.42581077654135
+  1 settings made for x
+set atom $i y ${y0}
+set atom 15 y ${y0}
+set atom 15 y 0.00200206041336068
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 43
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.05503968318158
+variable        y0 equal ${yi}
+variable        y0 equal 3.70494679970873
+
+set             atom $i x ${xnew}
+set             atom 43 x ${xnew}
+set             atom 43 x 1.15410325844937
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 43 y ${ynew}
+set             atom 43 y 3.75003771348131
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     779   -2.9871562   -1.7105402   -1.6998795 
+     780   -2.9871562   -1.7105402   -1.7123251 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.71232510082671
+variable naccept equal ${increment}
+variable naccept equal 246
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 100
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1610254410764
+variable        y0 equal ${yi}
+variable        y0 equal 8.2609955064207
+
+set             atom $i x ${xnew}
+set             atom 100 x ${xnew}
+set             atom 100 x 10.2077820662519
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 100 y ${ynew}
+set             atom 100 y 8.20004818357524
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     780   -2.9871562   -1.7123251   -1.7123251 
+     781   -2.9871562   -1.7123251   -1.6917081 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 100 x ${x0}
+set atom 100 x 10.1610254410764
+  1 settings made for x
+set atom $i y ${y0}
+set atom 100 y ${y0}
+set atom 100 y 8.2609955064207
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.05527156868621
+variable        y0 equal ${yi}
+variable        y0 equal 4.53311400765344
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 7.02894908466979
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.5368351375477
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     781   -2.9871562   -1.7123251   -1.6917081 
+     782   -2.9871562   -1.7123251   -1.7146375 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.71463748059898
+variable naccept equal ${increment}
+variable naccept equal 247
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 94
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.01762646713897
+variable        y0 equal ${yi}
+variable        y0 equal 8.4145590535551
+
+set             atom $i x ${xnew}
+set             atom 94 x ${xnew}
+set             atom 94 x 7.01873191872283
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 94 y ${ynew}
+set             atom 94 y 8.44720358766612
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     782   -2.9871562   -1.7146375   -1.7146375 
+     783   -2.9871562   -1.7146375   -1.7012399 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 94 x ${x0}
+set atom 94 x 7.01762646713897
+  1 settings made for x
+set atom $i y ${y0}
+set atom 94 y ${y0}
+set atom 94 y 8.4145590535551
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.89360781310894
+variable        y0 equal ${yi}
+variable        y0 equal 0.970815511453479
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 7.94428206085064
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 0.968377371538013
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     783   -2.9871562   -1.7146375   -1.7012399 
+     784   -2.9871562   -1.7146375   -1.7108684 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 16 x ${x0}
+set atom 16 x 7.89360781310894
+  1 settings made for x
+set atom $i y ${y0}
+set atom 16 y ${y0}
+set atom 16 y 0.970815511453479
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 98
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.16308992821724
+variable        y0 equal ${yi}
+variable        y0 equal 8.28462620891627
+
+set             atom $i x ${xnew}
+set             atom 98 x ${xnew}
+set             atom 98 x 9.16885812003166
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 98 y ${ynew}
+set             atom 98 y 8.23131354965266
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     784   -2.9871562   -1.7146375   -1.7108684 
+     785   -2.9871562   -1.7146375    -1.704114 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 98 x ${x0}
+set atom 98 x 9.16308992821724
+  1 settings made for x
+set atom $i y ${y0}
+set atom 98 y ${y0}
+set atom 98 y 8.28462620891627
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 19
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.4949854779112
+variable        y0 equal ${yi}
+variable        y0 equal 0.0935324668884274
+
+set             atom $i x ${xnew}
+set             atom 19 x ${xnew}
+set             atom 19 x 9.47284794329282
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 19 y ${ynew}
+set             atom 19 y 0.0353238224983212
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     785   -2.9871562   -1.7146375    -1.704114 
+     786   -2.9871562   -1.7146375   -1.7045183 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 19 x ${x0}
+set atom 19 x 9.4949854779112
+  1 settings made for x
+set atom $i y ${y0}
+set atom 19 y ${y0}
+set atom 19 y 0.0935324668884274
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.36479252655717
+variable        y0 equal ${yi}
+variable        y0 equal 7.37975311603808
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.37330011208268
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.46112735595965
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     786   -2.9871562   -1.7146375   -1.7045183 
+     787   -2.9871562   -1.7146375   -1.6132875 
+Loop time of 3.98159e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 89 x ${x0}
+set atom 89 x 4.36479252655717
+  1 settings made for x
+set atom $i y ${y0}
+set atom 89 y ${y0}
+set atom 89 y 7.37975311603808
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.49239535489503
+variable        y0 equal ${yi}
+variable        y0 equal 3.71645880503785
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.50438862004701
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.75084009928834
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     787   -2.9871562   -1.7146375   -1.6132875 
+     788   -2.9871562   -1.7146375   -1.7141844 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 57 x ${x0}
+set atom 57 x 8.49239535489503
+  1 settings made for x
+set atom $i y ${y0}
+set atom 57 y ${y0}
+set atom 57 y 3.71645880503785
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.11236243842937
+variable        y0 equal ${yi}
+variable        y0 equal 8.24853718198832
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.10908727048732
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.17876176752146
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     788   -2.9871562   -1.7146375   -1.7141844 
+     789   -2.9871562   -1.7146375   -1.6759486 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.11236243842937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.24853718198832
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.01127850452766
+variable        y0 equal ${yi}
+variable        y0 equal 9.27465030658572
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 1.95344397465095
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y 9.27187876212924
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     789   -2.9871562   -1.7146375   -1.6759486 
+     790   -2.9871562   -1.7146375   -1.6944996 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 5 x ${x0}
+set atom 5 x 2.01127850452766
+  1 settings made for x
+set atom $i y ${y0}
+set atom 5 y ${y0}
+set atom 5 y 9.27465030658572
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.6697051664157
+variable        y0 equal ${yi}
+variable        y0 equal 0.985170360315169
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.62979371746016
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 1.07454545091423
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     790   -2.9871562   -1.7146375   -1.6944996 
+     791   -2.9871562   -1.7146375   -1.7001172 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 6 x ${x0}
+set atom 6 x 2.6697051664157
+  1 settings made for x
+set atom $i y ${y0}
+set atom 6 y ${y0}
+set atom 6 y 0.985170360315169
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.65958938796949
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.6520207678692
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     791   -2.9871562   -1.7146375   -1.7001172 
+     792   -2.9871562   -1.7146375   -1.7051613 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.83310471732608
+variable        y0 equal ${yi}
+variable        y0 equal 8.3484317771345
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.80959312875262
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.4397501698881
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     792   -2.9871562   -1.7146375   -1.7051613 
+     793   -2.9871562   -1.7146375   -1.7049266 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 92 x ${x0}
+set atom 92 x 5.83310471732608
+  1 settings made for x
+set atom $i y ${y0}
+set atom 92 y ${y0}
+set atom 92 y 8.3484317771345
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 74
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.1464075712268
+variable        y0 equal ${yi}
+variable        y0 equal 6.56554357544413
+
+set             atom $i x ${xnew}
+set             atom 74 x ${xnew}
+set             atom 74 x 7.13868027010604
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 74 y ${ynew}
+set             atom 74 y 6.65474031702509
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     793   -2.9871562   -1.7146375   -1.7049266 
+     794   -2.9871562   -1.7146375   -1.6217317 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 74 x ${x0}
+set atom 74 x 7.1464075712268
+  1 settings made for x
+set atom $i y ${y0}
+set atom 74 y ${y0}
+set atom 74 y 6.56554357544413
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.96819095888778
+variable        y0 equal ${yi}
+variable        y0 equal 2.85498608323434
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 7.03446907082244
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.790668761457
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     794   -2.9871562   -1.7146375   -1.6217317 
+     795   -2.9871562   -1.7146375   -1.6755906 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 34 x ${x0}
+set atom 34 x 6.96819095888778
+  1 settings made for x
+set atom $i y ${y0}
+set atom 34 y ${y0}
+set atom 34 y 2.85498608323434
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.31983832835275
+variable        y0 equal ${yi}
+variable        y0 equal 9.28122769105762
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.38742891072351
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y 9.19825496185153
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     795   -2.9871562   -1.7146375   -1.6755906 
+     796   -2.9871562   -1.7146375   -1.7035873 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 13 x ${x0}
+set atom 13 x 6.31983832835275
+  1 settings made for x
+set atom $i y ${y0}
+set atom 13 y ${y0}
+set atom 13 y 9.28122769105762
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.51275517780553
+variable        y0 equal ${yi}
+variable        y0 equal 3.68194531960619
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.49120453436147
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.61259910626543
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     796   -2.9871562   -1.7146375   -1.7035873 
+     797   -2.9871562   -1.7146375   -1.6890186 
+Loop time of 7.9155e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 55 x ${x0}
+set atom 55 x 7.51275517780553
+  1 settings made for x
+set atom $i y ${y0}
+set atom 55 y ${y0}
+set atom 55 y 3.68194531960619
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.2262481812498
+variable        y0 equal ${yi}
+variable        y0 equal 2.83032892915109
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.1789412740728
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.78276804658273
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     797   -2.9871562   -1.7146375   -1.6890186 
+     798   -2.9871562   -1.7146375   -1.7149487 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.71494868943985
+variable naccept equal ${increment}
+variable naccept equal 248
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 97
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.64328949609225
+variable        y0 equal ${yi}
+variable        y0 equal 7.40728055563236
+
+set             atom $i x ${xnew}
+set             atom 97 x ${xnew}
+set             atom 97 x 8.61017632642214
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 97 y ${ynew}
+set             atom 97 y 7.45248262014652
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     798   -2.9871562   -1.7149487   -1.7149487 
+     799   -2.9871562   -1.7149487   -1.6983414 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 97 x ${x0}
+set atom 97 x 8.64328949609225
+  1 settings made for x
+set atom $i y ${y0}
+set atom 97 y ${y0}
+set atom 97 y 7.40728055563236
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.11236243842937
+variable        y0 equal ${yi}
+variable        y0 equal 8.24853718198832
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.05121116041042
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.23917953886088
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     799   -2.9871562   -1.7149487   -1.6983414 
+     800   -2.9871562   -1.7149487    -1.712876 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.11236243842937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.24853718198832
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 62
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.670342476764585
+variable        y0 equal ${yi}
+variable        y0 equal 6.59568084017267
+
+set             atom $i x ${xnew}
+set             atom 62 x ${xnew}
+set             atom 62 x 0.644441111484434
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 62 y ${ynew}
+set             atom 62 y 6.66990383402338
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     800   -2.9871562   -1.7149487    -1.712876 
+     801   -2.9871562   -1.7149487   -1.6668706 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 62 x ${x0}
+set atom 62 x 0.670342476764585
+  1 settings made for x
+set atom $i y ${y0}
+set atom 62 y ${y0}
+set atom 62 y 6.59568084017267
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 27
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.19226642608205
+variable        y0 equal ${yi}
+variable        y0 equal 1.99900682351654
+
+set             atom $i x ${xnew}
+set             atom 27 x ${xnew}
+set             atom 27 x 3.12774531602422
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 27 y ${ynew}
+set             atom 27 y 2.06417869708603
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     801   -2.9871562   -1.7149487   -1.6668706 
+     802   -2.9871562   -1.7149487   -1.6473225 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 27 x ${x0}
+set atom 27 x 3.19226642608205
+  1 settings made for x
+set atom $i y ${y0}
+set atom 27 y ${y0}
+set atom 27 y 1.99900682351654
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 97
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.64328949609225
+variable        y0 equal ${yi}
+variable        y0 equal 7.40728055563236
+
+set             atom $i x ${xnew}
+set             atom 97 x ${xnew}
+set             atom 97 x 8.6584085718674
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 97 y ${ynew}
+set             atom 97 y 7.33811192837024
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     802   -2.9871562   -1.7149487   -1.6473225 
+     803   -2.9871562   -1.7149487    -1.674558 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 97 x ${x0}
+set atom 97 x 8.64328949609225
+  1 settings made for x
+set atom $i y ${y0}
+set atom 97 y ${y0}
+set atom 97 y 7.40728055563236
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 62
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.670342476764585
+variable        y0 equal ${yi}
+variable        y0 equal 6.59568084017267
+
+set             atom $i x ${xnew}
+set             atom 62 x ${xnew}
+set             atom 62 x 0.640926618972684
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 62 y ${ynew}
+set             atom 62 y 6.62278335825433
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     803   -2.9871562   -1.7149487    -1.674558 
+     804   -2.9871562   -1.7149487   -1.6990439 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 62 x ${x0}
+set atom 62 x 0.670342476764585
+  1 settings made for x
+set atom $i y ${y0}
+set atom 62 y ${y0}
+set atom 62 y 6.59568084017267
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 82
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.44764589826193
+variable        y0 equal ${yi}
+variable        y0 equal 8.32563534893091
+
+set             atom $i x ${xnew}
+set             atom 82 x ${xnew}
+set             atom 82 x 0.366899044910337
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 82 y ${ynew}
+set             atom 82 y 8.33923450626428
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     804   -2.9871562   -1.7149487   -1.6990439 
+     805   -2.9871562   -1.7149487   -1.6794377 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 82 x ${x0}
+set atom 82 x 0.44764589826193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 82 y ${y0}
+set atom 82 y 8.32563534893091
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.81409508505946
+variable        y0 equal ${yi}
+variable        y0 equal 8.41906071819362
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.74803724805003
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.50701206840572
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     805   -2.9871562   -1.7149487   -1.6794377 
+     806   -2.9871562   -1.7149487   -1.6857677 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.81409508505946
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.41906071819362
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 23
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.15155310948544
+variable        y0 equal ${yi}
+variable        y0 equal 1.8275491871602
+
+set             atom $i x ${xnew}
+set             atom 23 x ${xnew}
+set             atom 23 x 1.07676643450909
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 23 y ${ynew}
+set             atom 23 y 1.85376013896531
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     806   -2.9871562   -1.7149487   -1.6857677 
+     807   -2.9871562   -1.7149487   -1.7154124 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.71541235117933
+variable naccept equal ${increment}
+variable naccept equal 249
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 27
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.19226642608205
+variable        y0 equal ${yi}
+variable        y0 equal 1.99900682351654
+
+set             atom $i x ${xnew}
+set             atom 27 x ${xnew}
+set             atom 27 x 3.17815570592443
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 27 y ${ynew}
+set             atom 27 y 1.94011161706512
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     807   -2.9871562   -1.7154124   -1.7154124 
+     808   -2.9871562   -1.7154124    -1.712074 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 27 x ${x0}
+set atom 27 x 3.19226642608205
+  1 settings made for x
+set atom $i y ${y0}
+set atom 27 y ${y0}
+set atom 27 y 1.99900682351654
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 62
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.670342476764585
+variable        y0 equal ${yi}
+variable        y0 equal 6.59568084017267
+
+set             atom $i x ${xnew}
+set             atom 62 x ${xnew}
+set             atom 62 x 0.755311007896329
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 62 y ${ynew}
+set             atom 62 y 6.66811671988001
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     808   -2.9871562   -1.7154124    -1.712074 
+     809   -2.9871562   -1.7154124   -1.6360247 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 62 x ${x0}
+set atom 62 x 0.670342476764585
+  1 settings made for x
+set atom $i y ${y0}
+set atom 62 y ${y0}
+set atom 62 y 6.59568084017267
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.4157506708166
+variable        y0 equal ${yi}
+variable        y0 equal 6.43439372316829
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.3847260002157
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.41507747904292
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     809   -2.9871562   -1.7154124   -1.6360247 
+     810   -2.9871562   -1.7154124   -1.7116759 
+Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 80 x ${x0}
+set atom 80 x 10.4157506708166
+  1 settings made for x
+set atom $i y ${y0}
+set atom 80 y ${y0}
+set atom 80 y 6.43439372316829
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.49823891638834
+variable        y0 equal ${yi}
+variable        y0 equal 3.73309955163132
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.5353129100712
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.70306807322632
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     810   -2.9871562   -1.7154124   -1.7116759 
+     811   -2.9871562   -1.7154124   -1.7050583 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 53 x ${x0}
+set atom 53 x 6.49823891638834
+  1 settings made for x
+set atom $i y ${y0}
+set atom 53 y ${y0}
+set atom 53 y 3.73309955163132
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.93586747366935
+variable        y0 equal ${yi}
+variable        y0 equal 0.897689135778275
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 8.98561896998435
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 0.845864470708695
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     811   -2.9871562   -1.7154124   -1.7050583 
+     812   -2.9871562   -1.7154124   -1.6765198 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 18 x ${x0}
+set atom 18 x 8.93586747366935
+  1 settings made for x
+set atom $i y ${y0}
+set atom 18 y ${y0}
+set atom 18 y 0.897689135778275
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.02894908466979
+variable        y0 equal ${yi}
+variable        y0 equal 4.5368351375477
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 7.05895539799377
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.54176601523325
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     812   -2.9871562   -1.7154124   -1.6765198 
+     813   -2.9871562   -1.7154124   -1.7179262 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.71792617158171
+variable naccept equal ${increment}
+variable naccept equal 250
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.15771750847207
+variable        y0 equal ${yi}
+variable        y0 equal 7.45649659958148
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.12867298761712
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.4769077095058
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     813   -2.9871562   -1.7179262   -1.7179262 
+     814   -2.9871562   -1.7179262   -1.7085591 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.15771750847207
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.45649659958148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.37579730828019
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.48046635334689
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     814   -2.9871562   -1.7179262   -1.7085591 
+     815   -2.9871562   -1.7179262   -1.7166566 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.49239535489503
+variable        y0 equal ${yi}
+variable        y0 equal 3.71645880503785
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.54407576480333
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.66106940074097
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     815   -2.9871562   -1.7179262   -1.7166566 
+     816   -2.9871562   -1.7179262   -1.7238768 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.7238768318224
+variable naccept equal ${increment}
+variable naccept equal 251
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.15834543148385
+variable        y0 equal ${yi}
+variable        y0 equal 1.95142827413148
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.19929245153771
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.88929442546434
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     816   -2.9871562   -1.7238768   -1.7238768 
+     817   -2.9871562   -1.7238768   -1.7215747 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.15834543148385
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.95142827413148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.50235789218808
+variable        y0 equal ${yi}
+variable        y0 equal 3.73372400565278
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.46953660646344
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.80056632323396
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     817   -2.9871562   -1.7238768   -1.7215747 
+     818   -2.9871562   -1.7238768   -1.6380307 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 51 x ${x0}
+set atom 51 x 5.50235789218808
+  1 settings made for x
+set atom $i y ${y0}
+set atom 51 y ${y0}
+set atom 51 y 3.73372400565278
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.70111999392291
+variable        y0 equal ${yi}
+variable        y0 equal 6.45056509510509
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.68808116793414
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.45315314070217
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     818   -2.9871562   -1.7238768   -1.6380307 
+     819   -2.9871562   -1.7238768   -1.7236905 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.72369048372649
+variable naccept equal ${increment}
+variable naccept equal 252
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 27
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.19226642608205
+variable        y0 equal ${yi}
+variable        y0 equal 1.99900682351654
+
+set             atom $i x ${xnew}
+set             atom 27 x ${xnew}
+set             atom 27 x 3.27580102443258
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 27 y ${ynew}
+set             atom 27 y 2.01401815793579
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     819   -2.9871562   -1.7236905   -1.7236905 
+     820   -2.9871562   -1.7236905   -1.7207422 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 27 x ${x0}
+set atom 27 x 3.19226642608205
+  1 settings made for x
+set atom $i y ${y0}
+set atom 27 y ${y0}
+set atom 27 y 1.99900682351654
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.31983832835275
+variable        y0 equal ${yi}
+variable        y0 equal 9.28122769105762
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.34766563891488
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y 9.31750871646732
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     820   -2.9871562   -1.7236905   -1.7207422 
+     821   -2.9871562   -1.7236905   -1.7299009 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.72990088558441
+variable naccept equal ${increment}
+variable naccept equal 253
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.545649071136379
+variable        y0 equal ${yi}
+variable        y0 equal 2.77431966039041
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.506126149097347
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.79404684277872
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     821   -2.9871562   -1.7299009   -1.7299009 
+     822   -2.9871562   -1.7299009   -1.7200473 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.545649071136379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.77431966039041
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 30
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.8951647126609
+variable        y0 equal ${yi}
+variable        y0 equal 2.85868977280953
+
+set             atom $i x ${xnew}
+set             atom 30 x ${xnew}
+set             atom 30 x 4.82051015734016
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 30 y ${ynew}
+set             atom 30 y 2.87694795104363
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     822   -2.9871562   -1.7299009   -1.7200473 
+     823   -2.9871562   -1.7299009   -1.7187772 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 30 x ${x0}
+set atom 30 x 4.8951647126609
+  1 settings made for x
+set atom $i y ${y0}
+set atom 30 y ${y0}
+set atom 30 y 2.85868977280953
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.01127850452766
+variable        y0 equal ${yi}
+variable        y0 equal 9.27465030658572
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 2.00726719538078
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y 9.30946243512957
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     823   -2.9871562   -1.7299009   -1.7187772 
+     824   -2.9871562   -1.7299009   -1.7320613 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.73206125250078
+variable naccept equal ${increment}
+variable naccept equal 254
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 86
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.8117458124919
+variable        y0 equal ${yi}
+variable        y0 equal 8.46798524774608
+
+set             atom $i x ${xnew}
+set             atom 86 x ${xnew}
+set             atom 86 x 2.82491954763365
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 86 y ${ynew}
+set             atom 86 y 8.43477009452876
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     824   -2.9871562   -1.7320613   -1.7320613 
+     825   -2.9871562   -1.7320613   -1.7284482 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 86 x ${x0}
+set atom 86 x 2.8117458124919
+  1 settings made for x
+set atom $i y ${y0}
+set atom 86 y ${y0}
+set atom 86 y 8.46798524774608
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 27
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.19226642608205
+variable        y0 equal ${yi}
+variable        y0 equal 1.99900682351654
+
+set             atom $i x ${xnew}
+set             atom 27 x ${xnew}
+set             atom 27 x 3.11506557225743
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 27 y ${ynew}
+set             atom 27 y 2.08289370915955
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     825   -2.9871562   -1.7320613   -1.7284482 
+     826   -2.9871562   -1.7320613   -1.6249889 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 27 x ${x0}
+set atom 27 x 3.19226642608205
+  1 settings made for x
+set atom $i y ${y0}
+set atom 27 y ${y0}
+set atom 27 y 1.99900682351654
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.81409508505946
+variable        y0 equal ${yi}
+variable        y0 equal 8.41906071819362
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.80300982514506
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.35141929306087
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     826   -2.9871562   -1.7320613   -1.6249889 
+     827   -2.9871562   -1.7320613   -1.7346054 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.73460542707606
+variable naccept equal ${increment}
+variable naccept equal 255
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.15834543148385
+variable        y0 equal ${yi}
+variable        y0 equal 1.95142827413148
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.16921079794274
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.86157575032777
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     827   -2.9871562   -1.7346054   -1.7346054 
+     828   -2.9871562   -1.7346054   -1.7375381 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.73753808415106
+variable naccept equal ${increment}
+variable naccept equal 256
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6911063273601
+variable        y0 equal ${yi}
+variable        y0 equal 5.45732250158982
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x 10.7603496750049
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.40226048176484
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     828   -2.9871562   -1.7375381   -1.7375381 
+     829   -2.9871562   -1.7375381   -1.6715626 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 61 x ${x0}
+set atom 61 x 10.6911063273601
+  1 settings made for x
+set atom $i y ${y0}
+set atom 61 y ${y0}
+set atom 61 y 5.45732250158982
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 67
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.3012590146021
+variable        y0 equal ${yi}
+variable        y0 equal 5.54728171770769
+
+set             atom $i x ${xnew}
+set             atom 67 x ${xnew}
+set             atom 67 x 3.31808795690099
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 67 y ${ynew}
+set             atom 67 y 5.6091846699019
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     829   -2.9871562   -1.7375381   -1.6715626 
+     830   -2.9871562   -1.7375381   -1.7378855 
+Loop time of 8.51154e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.73788552752348
+variable naccept equal ${increment}
+variable naccept equal 257
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.33270156462403
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.62247182076175
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     830   -2.9871562   -1.7378855   -1.7378855 
+     831   -2.9871562   -1.7378855    -1.731006 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.11236243842937
+variable        y0 equal ${yi}
+variable        y0 equal 8.24853718198832
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.0390900432954
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.15848807014521
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     831   -2.9871562   -1.7378855    -1.731006 
+     832   -2.9871562   -1.7378855   -1.6564567 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.11236243842937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.24853718198832
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 42
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.452082355419064
+variable        y0 equal ${yi}
+variable        y0 equal 4.6216128265278
+
+set             atom $i x ${xnew}
+set             atom 42 x ${xnew}
+set             atom 42 x 0.463221640983487
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 42 y ${ynew}
+set             atom 42 y 4.61717816943094
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     832   -2.9871562   -1.7378855   -1.6564567 
+     833   -2.9871562   -1.7378855   -1.7413497 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.74134970778084
+variable naccept equal ${increment}
+variable naccept equal 258
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.16921079794274
+variable        y0 equal ${yi}
+variable        y0 equal 1.86157575032777
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.10097406545983
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.77437192580766
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     833   -2.9871562   -1.7413497   -1.7413497 
+     834   -2.9871562   -1.7413497   -1.7142023 
+Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.16921079794274
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.86157575032777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 94
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.01762646713897
+variable        y0 equal ${yi}
+variable        y0 equal 8.4145590535551
+
+set             atom $i x ${xnew}
+set             atom 94 x ${xnew}
+set             atom 94 x 7.10199905911132
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 94 y ${ynew}
+set             atom 94 y 8.48179557241496
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     834   -2.9871562   -1.7413497   -1.7142023 
+     835   -2.9871562   -1.7413497   -1.6541726 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 94 x ${x0}
+set atom 94 x 7.01762646713897
+  1 settings made for x
+set atom $i y ${y0}
+set atom 94 y ${y0}
+set atom 94 y 8.4145590535551
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.79853938141947
+variable        y0 equal ${yi}
+variable        y0 equal 4.56348908299372
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.76206280509119
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.61360334509775
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     835   -2.9871562   -1.7413497   -1.6541726 
+     836   -2.9871562   -1.7413497   -1.7474607 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.74746065385794
+variable naccept equal ${increment}
+variable naccept equal 259
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.51275517780553
+variable        y0 equal ${yi}
+variable        y0 equal 3.68194531960619
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.41856354315053
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.62043429179323
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     836   -2.9871562   -1.7474607   -1.7474607 
+     837   -2.9871562   -1.7474607   -1.6352291 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 55 x ${x0}
+set atom 55 x 7.51275517780553
+  1 settings made for x
+set atom $i y ${y0}
+set atom 55 y ${y0}
+set atom 55 y 3.68194531960619
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80300982514506
+variable        y0 equal ${yi}
+variable        y0 equal 8.35141929306087
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.78031573811656
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.45079431451854
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     837   -2.9871562   -1.7474607   -1.6352291 
+     838   -2.9871562   -1.7474607   -1.7443247 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.80300982514506
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.35141929306087
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.49823891638834
+variable        y0 equal ${yi}
+variable        y0 equal 3.73309955163132
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.43797509192545
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.75269721312653
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     838   -2.9871562   -1.7474607   -1.7443247 
+     839   -2.9871562   -1.7474607   -1.7189583 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 53 x ${x0}
+set atom 53 x 6.49823891638834
+  1 settings made for x
+set atom $i y ${y0}
+set atom 53 y ${y0}
+set atom 53 y 3.73309955163132
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 99
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.79539506910918
+variable        y0 equal ${yi}
+variable        y0 equal 7.31491797294879
+
+set             atom $i x ${xnew}
+set             atom 99 x ${xnew}
+set             atom 99 x 9.71676251171706
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 99 y ${ynew}
+set             atom 99 y 7.30314036932254
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     839   -2.9871562   -1.7474607   -1.7189583 
+     840   -2.9871562   -1.7474607   -1.7257599 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 99 x ${x0}
+set atom 99 x 9.79539506910918
+  1 settings made for x
+set atom $i y ${y0}
+set atom 99 y ${y0}
+set atom 99 y 7.31491797294879
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.40756498654099
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.47580430453021
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     840   -2.9871562   -1.7474607   -1.7257599 
+     841   -2.9871562   -1.7474607   -1.7448247 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.55546174207155
+variable        y0 equal ${yi}
+variable        y0 equal 5.67337435429292
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.64938848176424
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.74479483311372
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     841   -2.9871562   -1.7474607   -1.7448247 
+     842   -2.9871562   -1.7474607    -1.723538 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 77 x ${x0}
+set atom 77 x 8.55546174207155
+  1 settings made for x
+set atom $i y ${y0}
+set atom 77 y ${y0}
+set atom 77 y 5.67337435429292
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.61125521540423
+variable        y0 equal ${yi}
+variable        y0 equal 4.63791933411523
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.68902118086596
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.62316301220819
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     842   -2.9871562   -1.7474607    -1.723538 
+     843   -2.9871562   -1.7474607   -1.7367142 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 44 x ${x0}
+set atom 44 x 1.61125521540423
+  1 settings made for x
+set atom $i y ${y0}
+set atom 44 y ${y0}
+set atom 44 y 4.63791933411523
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 75
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.43141517479192
+variable        y0 equal ${yi}
+variable        y0 equal 5.56478210632998
+
+set             atom $i x ${xnew}
+set             atom 75 x ${xnew}
+set             atom 75 x 7.42118378717672
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 75 y ${ynew}
+set             atom 75 y 5.53502851669985
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     843   -2.9871562   -1.7474607   -1.7367142 
+     844   -2.9871562   -1.7474607   -1.7437864 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 75 x ${x0}
+set atom 75 x 7.43141517479192
+  1 settings made for x
+set atom $i y ${y0}
+set atom 75 y ${y0}
+set atom 75 y 5.56478210632998
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.4157506708166
+variable        y0 equal ${yi}
+variable        y0 equal 6.43439372316829
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.3655255559942
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.39485923782817
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     844   -2.9871562   -1.7474607   -1.7437864 
+     845   -2.9871562   -1.7474607   -1.7298688 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 80 x ${x0}
+set atom 80 x 10.4157506708166
+  1 settings made for x
+set atom $i y ${y0}
+set atom 80 y ${y0}
+set atom 80 y 6.43439372316829
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.3139669903061
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.59370591585833
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     845   -2.9871562   -1.7474607   -1.7298688 
+     846   -2.9871562   -1.7474607   -1.7389343 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.43885856071379
+variable        y0 equal ${yi}
+variable        y0 equal 5.558475553443
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.3636493364897
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.64867931549744
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     846   -2.9871562   -1.7474607   -1.7389343 
+     847   -2.9871562   -1.7474607    -1.722129 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 71 x ${x0}
+set atom 71 x 5.43885856071379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 71 y ${y0}
+set atom 71 y 5.558475553443
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 39
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.48253180264112
+variable        y0 equal ${yi}
+variable        y0 equal 1.83061694285935
+
+set             atom $i x ${xnew}
+set             atom 39 x ${xnew}
+set             atom 39 x 9.47240171908018
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 39 y ${ynew}
+set             atom 39 y 1.88506176850861
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     847   -2.9871562   -1.7474607    -1.722129 
+     848   -2.9871562   -1.7474607   -1.7206962 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 39 x ${x0}
+set atom 39 x 9.48253180264112
+  1 settings made for x
+set atom $i y ${y0}
+set atom 39 y ${y0}
+set atom 39 y 1.83061694285935
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.05895539799377
+variable        y0 equal ${yi}
+variable        y0 equal 4.54176601523325
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 7.07315314093276
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.61574550026819
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     848   -2.9871562   -1.7474607   -1.7206962 
+     849   -2.9871562   -1.7474607   -1.7620799 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.76207991831476
+variable naccept equal ${increment}
+variable naccept equal 260
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 38
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.17293971497565
+variable        y0 equal ${yi}
+variable        y0 equal 2.77695646258691
+
+set             atom $i x ${xnew}
+set             atom 38 x ${xnew}
+set             atom 38 x 9.20978398043662
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 38 y ${ynew}
+set             atom 38 y 2.75552356215814
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     849   -2.9871562   -1.7620799   -1.7620799 
+     850   -2.9871562   -1.7620799   -1.7416089 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 38 x ${x0}
+set atom 38 x 9.17293971497565
+  1 settings made for x
+set atom $i y ${y0}
+set atom 38 y ${y0}
+set atom 38 y 2.77695646258691
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.27689530053999
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y 0.0811638355255102
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     850   -2.9871562   -1.7620799   -1.7416089 
+     851   -2.9871562   -1.7620799   -1.7359606 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.83310471732608
+variable        y0 equal ${yi}
+variable        y0 equal 8.3484317771345
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.88852144439212
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.27566140808161
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     851   -2.9871562   -1.7620799   -1.7359606 
+     852   -2.9871562   -1.7620799   -1.7144672 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 92 x ${x0}
+set atom 92 x 5.83310471732608
+  1 settings made for x
+set atom $i y ${y0}
+set atom 92 y ${y0}
+set atom 92 y 8.3484317771345
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.42581077654135
+variable        y0 equal ${yi}
+variable        y0 equal 0.00200206041336068
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.36191954452765
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y -0.0152604103088378
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     852   -2.9871562   -1.7620799   -1.7144672 
+     853   -2.9871562   -1.7620799   -1.7353789 
+Loop time of 6.10352e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 15 x ${x0}
+set atom 15 x 7.42581077654135
+  1 settings made for x
+set atom $i y ${y0}
+set atom 15 y ${y0}
+set atom 15 y 0.00200206041336068
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 63
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.987933591205408
+variable        y0 equal ${yi}
+variable        y0 equal 5.5415678853293
+
+set             atom $i x ${xnew}
+set             atom 63 x ${xnew}
+set             atom 63 x 0.970411589938929
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 63 y ${ynew}
+set             atom 63 y 5.63164653723436
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     853   -2.9871562   -1.7620799   -1.7353789 
+     854   -2.9871562   -1.7620799   -1.7544478 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 63 x ${x0}
+set atom 63 x 0.987933591205408
+  1 settings made for x
+set atom $i y ${y0}
+set atom 63 y ${y0}
+set atom 63 y 5.5415678853293
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.42581077654135
+variable        y0 equal ${yi}
+variable        y0 equal 0.00200206041336068
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.50117924053442
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y 9.1314315796738e-06
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     854   -2.9871562   -1.7620799   -1.7544478 
+     855   -2.9871562   -1.7620799   -1.7678181 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.7678180974512
+variable naccept equal ${increment}
+variable naccept equal 261
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 76
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.12744101880885
+variable        y0 equal ${yi}
+variable        y0 equal 6.56631985441675
+
+set             atom $i x ${xnew}
+set             atom 76 x ${xnew}
+set             atom 76 x 8.07809329627849
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 76 y ${ynew}
+set             atom 76 y 6.61771571175089
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     855   -2.9871562   -1.7678181   -1.7678181 
+     856   -2.9871562   -1.7678181   -1.7414795 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 76 x ${x0}
+set atom 76 x 8.12744101880885
+  1 settings made for x
+set atom $i y ${y0}
+set atom 76 y ${y0}
+set atom 76 y 6.56631985441675
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.6697051664157
+variable        y0 equal ${yi}
+variable        y0 equal 0.985170360315169
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.67562869985534
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 0.952592285383071
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     856   -2.9871562   -1.7678181   -1.7414795 
+     857   -2.9871562   -1.7678181   -1.7715483 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.77154834512522
+variable naccept equal ${increment}
+variable naccept equal 262
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 78
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.1799755902961
+variable        y0 equal ${yi}
+variable        y0 equal 6.56346605555049
+
+set             atom $i x ${xnew}
+set             atom 78 x ${xnew}
+set             atom 78 x 9.27159607131035
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 78 y ${ynew}
+set             atom 78 y 6.60711233154765
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     857   -2.9871562   -1.7715483   -1.7715483 
+     858   -2.9871562   -1.7715483   -1.6883269 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 78 x ${x0}
+set atom 78 x 9.1799755902961
+  1 settings made for x
+set atom $i y ${y0}
+set atom 78 y ${y0}
+set atom 78 y 6.56346605555049
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80300982514506
+variable        y0 equal ${yi}
+variable        y0 equal 8.35141929306087
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.78193971434718
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.31736352361736
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     858   -2.9871562   -1.7715483   -1.6883269 
+     859   -2.9871562   -1.7715483   -1.7714943 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.77149428687474
+variable naccept equal ${increment}
+variable naccept equal 263
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 12
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.81250222880832
+variable        y0 equal ${yi}
+variable        y0 equal 0.959874435174792
+
+set             atom $i x ${xnew}
+set             atom 12 x ${xnew}
+set             atom 12 x 5.79718234498493
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 12 y ${ynew}
+set             atom 12 y 0.980774923074572
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     859   -2.9871562   -1.7714943   -1.7714943 
+     860   -2.9871562   -1.7714943   -1.7610263 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 12 x ${x0}
+set atom 12 x 5.81250222880832
+  1 settings made for x
+set atom $i y ${y0}
+set atom 12 y ${y0}
+set atom 12 y 0.959874435174792
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 39
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.48253180264112
+variable        y0 equal ${yi}
+variable        y0 equal 1.83061694285935
+
+set             atom $i x ${xnew}
+set             atom 39 x ${xnew}
+set             atom 39 x 9.4890811848509
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 39 y ${ynew}
+set             atom 39 y 1.9203353919751
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     860   -2.9871562   -1.7714943   -1.7610263 
+     861   -2.9871562   -1.7714943   -1.7253484 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 39 x ${x0}
+set atom 39 x 9.48253180264112
+  1 settings made for x
+set atom $i y ${y0}
+set atom 39 y ${y0}
+set atom 39 y 1.83061694285935
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 93
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.37491369961817
+variable        y0 equal ${yi}
+variable        y0 equal 7.49044490185045
+
+set             atom $i x ${xnew}
+set             atom 93 x ${xnew}
+set             atom 93 x 6.4014548849972
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 93 y ${ynew}
+set             atom 93 y 7.57898224916719
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     861   -2.9871562   -1.7714943   -1.7253484 
+     862   -2.9871562   -1.7714943    -1.767324 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 93 x ${x0}
+set atom 93 x 6.37491369961817
+  1 settings made for x
+set atom $i y ${y0}
+set atom 93 y ${y0}
+set atom 93 y 7.49044490185045
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 86
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.8117458124919
+variable        y0 equal ${yi}
+variable        y0 equal 8.46798524774608
+
+set             atom $i x ${xnew}
+set             atom 86 x ${xnew}
+set             atom 86 x 2.76742996175719
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 86 y ${ynew}
+set             atom 86 y 8.37876136220989
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     862   -2.9871562   -1.7714943    -1.767324 
+     863   -2.9871562   -1.7714943     -1.77987 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.77986997125106
+variable naccept equal ${increment}
+variable naccept equal 264
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 60
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1148146752378
+variable        y0 equal ${yi}
+variable        y0 equal 4.54698911065027
+
+set             atom $i x ${xnew}
+set             atom 60 x ${xnew}
+set             atom 60 x 10.1870918158552
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 60 y ${ynew}
+set             atom 60 y 4.52216164225504
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     863   -2.9871562     -1.77987     -1.77987 
+     864   -2.9871562     -1.77987   -1.7770706 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 60 x ${x0}
+set atom 60 x 10.1148146752378
+  1 settings made for x
+set atom $i y ${y0}
+set atom 60 y ${y0}
+set atom 60 y 4.54698911065027
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 63
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.987933591205408
+variable        y0 equal ${yi}
+variable        y0 equal 5.5415678853293
+
+set             atom $i x ${xnew}
+set             atom 63 x ${xnew}
+set             atom 63 x 0.940977111656
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 63 y ${ynew}
+set             atom 63 y 5.55659837668138
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     864   -2.9871562     -1.77987   -1.7770706 
+     865   -2.9871562     -1.77987   -1.7705454 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 63 x ${x0}
+set atom 63 x 0.987933591205408
+  1 settings made for x
+set atom $i y ${y0}
+set atom 63 y ${y0}
+set atom 63 y 5.5415678853293
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 68
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.85495240012294
+variable        y0 equal ${yi}
+variable        y0 equal 6.60158496633997
+
+set             atom $i x ${xnew}
+set             atom 68 x ${xnew}
+set             atom 68 x 3.79614609995967
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 68 y ${ynew}
+set             atom 68 y 6.5482283546113
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     865   -2.9871562     -1.77987   -1.7705454 
+     866   -2.9871562     -1.77987    -1.806665 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.806665028451
+variable naccept equal ${increment}
+variable naccept equal 265
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.67562869985534
+variable        y0 equal ${yi}
+variable        y0 equal 0.952592285383071
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.64316184719039
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 0.981975110280837
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     866   -2.9871562    -1.806665    -1.806665 
+     867   -2.9871562    -1.806665   -1.7997506 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 6 x ${x0}
+set atom 6 x 2.67562869985534
+  1 settings made for x
+set atom $i y ${y0}
+set atom 6 y ${y0}
+set atom 6 y 0.952592285383071
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 7
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.27643877028982
+variable        y0 equal ${yi}
+variable        y0 equal 0.075750613212595
+
+set             atom $i x ${xnew}
+set             atom 7 x ${xnew}
+set             atom 7 x 3.29421101569692
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 7 y ${ynew}
+set             atom 7 y 0.0836683034896946
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     867   -2.9871562    -1.806665   -1.7997506 
+     868   -2.9871562    -1.806665   -1.8041576 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 7 x ${x0}
+set atom 7 x 3.27643877028982
+  1 settings made for x
+set atom $i y ${y0}
+set atom 7 y ${y0}
+set atom 7 y 0.075750613212595
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 43
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.15410325844937
+variable        y0 equal ${yi}
+variable        y0 equal 3.75003771348131
+
+set             atom $i x ${xnew}
+set             atom 43 x ${xnew}
+set             atom 43 x 1.07365404685193
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 43 y ${ynew}
+set             atom 43 y 3.82614970965517
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     868   -2.9871562    -1.806665   -1.8041576 
+     869   -2.9871562    -1.806665   -1.7886142 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 43 x ${x0}
+set atom 43 x 1.15410325844937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 43 y ${y0}
+set atom 43 y 3.75003771348131
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 7
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.27643877028982
+variable        y0 equal ${yi}
+variable        y0 equal 0.075750613212595
+
+set             atom $i x ${xnew}
+set             atom 7 x ${xnew}
+set             atom 7 x 3.22492432355444
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 7 y ${ynew}
+set             atom 7 y 0.0240613460540867
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     869   -2.9871562    -1.806665   -1.7886142 
+     870   -2.9871562    -1.806665   -1.8091695 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.80916947117934
+variable naccept equal ${increment}
+variable naccept equal 266
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 94
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.01762646713897
+variable        y0 equal ${yi}
+variable        y0 equal 8.4145590535551
+
+set             atom $i x ${xnew}
+set             atom 94 x ${xnew}
+set             atom 94 x 7.06616003790542
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 94 y ${ynew}
+set             atom 94 y 8.3359661928564
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     870   -2.9871562   -1.8091695   -1.8091695 
+     871   -2.9871562   -1.8091695   -1.7984077 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 94 x ${x0}
+set atom 94 x 7.01762646713897
+  1 settings made for x
+set atom $i y ${y0}
+set atom 94 y ${y0}
+set atom 94 y 8.4145590535551
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 82
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.44764589826193
+variable        y0 equal ${yi}
+variable        y0 equal 8.32563534893091
+
+set             atom $i x ${xnew}
+set             atom 82 x ${xnew}
+set             atom 82 x 0.437935324111845
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 82 y ${ynew}
+set             atom 82 y 8.27539102949197
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     871   -2.9871562   -1.8091695   -1.7984077 
+     872   -2.9871562   -1.8091695   -1.8011407 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 82 x ${x0}
+set atom 82 x 0.44764589826193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 82 y ${y0}
+set atom 82 y 8.32563534893091
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.49823891638834
+variable        y0 equal ${yi}
+variable        y0 equal 3.73309955163132
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.45785246609766
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.78388739390503
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     872   -2.9871562   -1.8091695   -1.8011407 
+     873   -2.9871562   -1.8091695   -1.7772647 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 53 x ${x0}
+set atom 53 x 6.49823891638834
+  1 settings made for x
+set atom $i y ${y0}
+set atom 53 y ${y0}
+set atom 53 y 3.73309955163132
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80888134757167
+variable        y0 equal ${yi}
+variable        y0 equal 2.87047326537469
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.85786454001552
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.82388043376306
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     873   -2.9871562   -1.8091695   -1.7772647 
+     874   -2.9871562   -1.8091695   -1.8156336 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.81563357000894
+variable naccept equal ${increment}
+variable naccept equal 267
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 32
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.90086858232013
+variable        y0 equal ${yi}
+variable        y0 equal 2.85332814427712
+
+set             atom $i x ${xnew}
+set             atom 32 x ${xnew}
+set             atom 32 x 5.85718136985294
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 32 y ${ynew}
+set             atom 32 y 2.75521967383721
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     874   -2.9871562   -1.8156336   -1.8156336 
+     875   -2.9871562   -1.8156336   -1.7610176 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 32 x ${x0}
+set atom 32 x 5.90086858232013
+  1 settings made for x
+set atom $i y ${y0}
+set atom 32 y ${y0}
+set atom 32 y 2.85332814427712
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.68808116793414
+variable        y0 equal ${yi}
+variable        y0 equal 6.45315314070217
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.68556072592517
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.51192690865032
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     875   -2.9871562   -1.8156336   -1.7610176 
+     876   -2.9871562   -1.8156336   -1.8144365 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.68808116793414
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.45315314070217
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.15771750847207
+variable        y0 equal ${yi}
+variable        y0 equal 7.45649659958148
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.23823409715997
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.44090699281955
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     876   -2.9871562   -1.8156336   -1.8144365 
+     877   -2.9871562   -1.8156336   -1.8028861 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.15771750847207
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.45649659958148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 62
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.670342476764585
+variable        y0 equal ${yi}
+variable        y0 equal 6.59568084017267
+
+set             atom $i x ${xnew}
+set             atom 62 x ${xnew}
+set             atom 62 x 0.69972850839224
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 62 y ${ynew}
+set             atom 62 y 6.49726980463495
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     877   -2.9871562   -1.8156336   -1.8028861 
+     878   -2.9871562   -1.8156336   -1.8168734 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.81687335600279
+variable naccept equal ${increment}
+variable naccept equal 268
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 38
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.17293971497565
+variable        y0 equal ${yi}
+variable        y0 equal 2.77695646258691
+
+set             atom $i x ${xnew}
+set             atom 38 x ${xnew}
+set             atom 38 x 9.21257117707282
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 38 y ${ynew}
+set             atom 38 y 2.75463815900186
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     878   -2.9871562   -1.8168734   -1.8168734 
+     879   -2.9871562   -1.8168734    -1.794346 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 38 x ${x0}
+set atom 38 x 9.17293971497565
+  1 settings made for x
+set atom $i y ${y0}
+set atom 38 y ${y0}
+set atom 38 y 2.77695646258691
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.648263963049
+variable        y0 equal ${yi}
+variable        y0 equal 9.2079006861481
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x 10.7263296087437
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 9.29605919826358
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     879   -2.9871562   -1.8168734    -1.794346 
+     880   -2.9871562   -1.8168734   -1.7888548 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 1 x ${x0}
+set atom 1 x 10.648263963049
+  1 settings made for x
+set atom $i y ${y0}
+set atom 1 y ${y0}
+set atom 1 y 9.2079006861481
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.18878640571939
+variable        y0 equal ${yi}
+variable        y0 equal 5.5354710811873
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.09638055006372
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.52158027832704
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     880   -2.9871562   -1.8168734   -1.7888548 
+     881   -2.9871562   -1.8168734   -1.8095481 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 65 x ${x0}
+set atom 65 x 2.18878640571939
+  1 settings made for x
+set atom $i y ${y0}
+set atom 65 y ${y0}
+set atom 65 y 5.5354710811873
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 74
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.1464075712268
+variable        y0 equal ${yi}
+variable        y0 equal 6.56554357544413
+
+set             atom $i x ${xnew}
+set             atom 74 x ${xnew}
+set             atom 74 x 7.09398345032379
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 74 y ${ynew}
+set             atom 74 y 6.52802731529703
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     881   -2.9871562   -1.8168734   -1.8095481 
+     882   -2.9871562   -1.8168734   -1.8485043 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.84850433096387
+variable naccept equal ${increment}
+variable naccept equal 269
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 93
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.37491369961817
+variable        y0 equal ${yi}
+variable        y0 equal 7.49044490185045
+
+set             atom $i x ${xnew}
+set             atom 93 x ${xnew}
+set             atom 93 x 6.35256179093439
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 93 y ${ynew}
+set             atom 93 y 7.41641402569078
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     882   -2.9871562   -1.8485043   -1.8485043 
+     883   -2.9871562   -1.8485043   -1.7839934 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 93 x ${x0}
+set atom 93 x 6.37491369961817
+  1 settings made for x
+set atom $i y ${y0}
+set atom 93 y ${y0}
+set atom 93 y 7.49044490185045
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.18878640571939
+variable        y0 equal ${yi}
+variable        y0 equal 5.5354710811873
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.11623547712671
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.54375295584398
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     883   -2.9871562   -1.8485043   -1.7839934 
+     884   -2.9871562   -1.8485043   -1.8447424 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 65 x ${x0}
+set atom 65 x 2.18878640571939
+  1 settings made for x
+set atom $i y ${y0}
+set atom 65 y ${y0}
+set atom 65 y 5.5354710811873
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.43885856071379
+variable        y0 equal ${yi}
+variable        y0 equal 5.558475553443
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.49670985141661
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.54231803362565
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     884   -2.9871562   -1.8485043   -1.8447424 
+     885   -2.9871562   -1.8485043   -1.8213681 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 71 x ${x0}
+set atom 71 x 5.43885856071379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 71 y ${y0}
+set atom 71 y 5.558475553443
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.50117924053442
+variable        y0 equal ${yi}
+variable        y0 equal 9.1314315796738e-06
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.45333666641485
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y 0.0547606468200684
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     885   -2.9871562   -1.8485043   -1.8213681 
+     886   -2.9871562   -1.8485043   -1.8495105 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.84951047963468
+variable naccept equal ${increment}
+variable naccept equal 270
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 76
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.12744101880885
+variable        y0 equal ${yi}
+variable        y0 equal 6.56631985441675
+
+set             atom $i x ${xnew}
+set             atom 76 x ${xnew}
+set             atom 76 x 8.09401165841914
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 76 y ${ynew}
+set             atom 76 y 6.63510320917597
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     886   -2.9871562   -1.8495105   -1.8495105 
+     887   -2.9871562   -1.8495105   -1.8311127 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 76 x ${x0}
+set atom 76 x 8.12744101880885
+  1 settings made for x
+set atom $i y ${y0}
+set atom 76 y ${y0}
+set atom 76 y 6.56631985441675
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.00726719538078
+variable        y0 equal ${yi}
+variable        y0 equal 0.00341384410857337
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 2.01052051226005
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y -0.0541815400123678
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     887   -2.9871562   -1.8495105   -1.8311127 
+     888   -2.9871562   -1.8495105   -1.8403448 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 5 x ${x0}
+set atom 5 x 2.00726719538078
+  1 settings made for x
+set atom $i y ${y0}
+set atom 5 y ${y0}
+set atom 5 y 0.00341384410857337
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6911063273601
+variable        y0 equal ${yi}
+variable        y0 equal 5.45732250158982
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x 10.6780122597866
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.49399188702302
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     888   -2.9871562   -1.8495105   -1.8403448 
+     889   -2.9871562   -1.8495105   -1.8445207 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 61 x ${x0}
+set atom 61 x 10.6911063273601
+  1 settings made for x
+set atom $i y ${y0}
+set atom 61 y ${y0}
+set atom 61 y 5.45732250158982
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.33299971897813
+variable        y0 equal ${yi}
+variable        y0 equal 1.87642453095979
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.40642988760682
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.93637384555406
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     889   -2.9871562   -1.8495105   -1.8445207 
+     890   -2.9871562   -1.8495105   -1.8049042 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.33299971897813
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.87642453095979
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 32
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.90086858232013
+variable        y0 equal ${yi}
+variable        y0 equal 2.85332814427712
+
+set             atom $i x ${xnew}
+set             atom 32 x ${xnew}
+set             atom 32 x 5.80276870687
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 32 y ${ynew}
+set             atom 32 y 2.87720658751824
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     890   -2.9871562   -1.8495105   -1.8049042 
+     891   -2.9871562   -1.8495105   -1.7718696 
+Loop time of 7.9155e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 32 x ${x0}
+set atom 32 x 5.90086858232013
+  1 settings made for x
+set atom $i y ${y0}
+set atom 32 y ${y0}
+set atom 32 y 2.85332814427712
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.302839982893
+variable        y0 equal ${yi}
+variable        y0 equal 0.902523060548633
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.3689436797161
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 0.889873083341449
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     891   -2.9871562   -1.8495105   -1.7718696 
+     892   -2.9871562   -1.8495105   -1.8330488 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 20 x ${x0}
+set atom 20 x 10.302839982893
+  1 settings made for x
+set atom $i y ${y0}
+set atom 20 y ${y0}
+set atom 20 y 0.902523060548633
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.00726719538078
+variable        y0 equal ${yi}
+variable        y0 equal 0.00341384410857337
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 1.91512526909218
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y -0.054757344722756
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     892   -2.9871562   -1.8495105   -1.8330488 
+     893   -2.9871562   -1.8495105   -1.7956895 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 5 x ${x0}
+set atom 5 x 2.00726719538078
+  1 settings made for x
+set atom $i y ${y0}
+set atom 5 y ${y0}
+set atom 5 y 0.00341384410857337
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.36479252655717
+variable        y0 equal ${yi}
+variable        y0 equal 7.37975311603808
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.37078342516633
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.47192827787661
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     893   -2.9871562   -1.8495105   -1.7956895 
+     894   -2.9871562   -1.8495105   -1.6915763 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 89 x ${x0}
+set atom 89 x 4.36479252655717
+  1 settings made for x
+set atom $i y ${y0}
+set atom 89 y ${y0}
+set atom 89 y 7.37975311603808
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.9486086213523
+variable        y0 equal ${yi}
+variable        y0 equal 6.50839406982889
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.87741336464225
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.4556893421792
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     894   -2.9871562   -1.8495105   -1.6915763 
+     895   -2.9871562   -1.8495105   -1.8563081 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.85630807294211
+variable naccept equal ${increment}
+variable naccept equal 271
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 36
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.9432972490678
+variable        y0 equal ${yi}
+variable        y0 equal 2.61277595731118
+
+set             atom $i x ${xnew}
+set             atom 36 x ${xnew}
+set             atom 36 x 8.03611046670772
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 36 y ${ynew}
+set             atom 36 y 2.66520280810693
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     895   -2.9871562   -1.8563081   -1.8563081 
+     896   -2.9871562   -1.8563081    -1.898889 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.898889046044
+variable naccept equal ${increment}
+variable naccept equal 272
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 56
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.06611787675716
+variable        y0 equal ${yi}
+variable        y0 equal 4.67376009577678
+
+set             atom $i x ${xnew}
+set             atom 56 x ${xnew}
+set             atom 56 x 8.10189970134594
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 56 y ${ynew}
+set             atom 56 y 4.6733581578152
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     896   -2.9871562    -1.898889    -1.898889 
+     897   -2.9871562    -1.898889   -1.9044415 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.90444152364981
+variable naccept equal ${increment}
+variable naccept equal 273
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.30100279251004
+variable        y0 equal ${yi}
+variable        y0 equal 7.47468527879977
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.23490547338391
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.4095374139812
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     897   -2.9871562   -1.9044415   -1.9044415 
+     898   -2.9871562   -1.9044415   -1.8238942 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 91 x ${x0}
+set atom 91 x 5.30100279251004
+  1 settings made for x
+set atom $i y ${y0}
+set atom 91 y ${y0}
+set atom 91 y 7.47468527879977
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.55546174207155
+variable        y0 equal ${yi}
+variable        y0 equal 5.67337435429292
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.53715084948961
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.65096529667573
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     898   -2.9871562   -1.9044415   -1.8238942 
+     899   -2.9871562   -1.9044415   -1.9034727 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 77 x ${x0}
+set atom 77 x 8.55546174207155
+  1 settings made for x
+set atom $i y ${y0}
+set atom 77 y ${y0}
+set atom 77 y 5.67337435429292
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31064851680662
+variable        y0 equal ${yi}
+variable        y0 equal 1.91864991567201
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.31822384992506
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 1.99991759440965
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     899   -2.9871562   -1.9044415   -1.9034727 
+     900   -2.9871562   -1.9044415   -1.8879259 
+Loop time of 8.70228e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 31 x ${x0}
+set atom 31 x 5.31064851680662
+  1 settings made for x
+set atom $i y ${y0}
+set atom 31 y ${y0}
+set atom 31 y 1.91864991567201
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 27
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.19226642608205
+variable        y0 equal ${yi}
+variable        y0 equal 1.99900682351654
+
+set             atom $i x ${xnew}
+set             atom 27 x ${xnew}
+set             atom 27 x 3.2535330629305
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 27 y ${ynew}
+set             atom 27 y 2.05843172452515
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     900   -2.9871562   -1.9044415   -1.8879259 
+     901   -2.9871562   -1.9044415   -1.8895205 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 27 x ${x0}
+set atom 27 x 3.19226642608205
+  1 settings made for x
+set atom $i y ${y0}
+set atom 27 y ${y0}
+set atom 27 y 1.99900682351654
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.61125521540423
+variable        y0 equal ${yi}
+variable        y0 equal 4.63791933411523
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.55263628840228
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.61806922310754
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     901   -2.9871562   -1.9044415   -1.8895205 
+     902   -2.9871562   -1.9044415   -1.8894347 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 44 x ${x0}
+set atom 44 x 1.61125521540423
+  1 settings made for x
+set atom $i y ${y0}
+set atom 44 y ${y0}
+set atom 44 y 4.63791933411523
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 84
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.63794375538607
+variable        y0 equal ${yi}
+variable        y0 equal 8.371298693791
+
+set             atom $i x ${xnew}
+set             atom 84 x ${xnew}
+set             atom 84 x 1.57181516766329
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 84 y ${ynew}
+set             atom 84 y 8.41880447782573
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     902   -2.9871562   -1.9044415   -1.8894347 
+     903   -2.9871562   -1.9044415   -1.9013203 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 84 x ${x0}
+set atom 84 x 1.63794375538607
+  1 settings made for x
+set atom $i y ${y0}
+set atom 84 y ${y0}
+set atom 84 y 8.371298693791
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 60
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1148146752378
+variable        y0 equal ${yi}
+variable        y0 equal 4.54698911065027
+
+set             atom $i x ${xnew}
+set             atom 60 x ${xnew}
+set             atom 60 x 10.2080372814199
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 60 y ${ynew}
+set             atom 60 y 4.58732729309961
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     903   -2.9871562   -1.9044415   -1.9013203 
+     904   -2.9871562   -1.9044415   -1.8921253 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 60 x ${x0}
+set atom 60 x 10.1148146752378
+  1 settings made for x
+set atom $i y ${y0}
+set atom 60 y ${y0}
+set atom 60 y 4.54698911065027
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.75239680647192
+variable        y0 equal ${yi}
+variable        y0 equal 8.22711012281474
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.77716802000341
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.29469001211223
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     904   -2.9871562   -1.9044415   -1.8921253 
+     905   -2.9871562   -1.9044415     -1.96883 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.96882999923653
+variable naccept equal ${increment}
+variable naccept equal 274
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.67562869985534
+variable        y0 equal ${yi}
+variable        y0 equal 0.952592285383071
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.72335403163863
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 1.00596850703987
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     905   -2.9871562     -1.96883     -1.96883 
+     906   -2.9871562     -1.96883   -1.9584192 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 6 x ${x0}
+set atom 6 x 2.67562869985534
+  1 settings made for x
+set atom $i y ${y0}
+set atom 6 y ${y0}
+set atom 6 y 0.952592285383071
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.49823891638834
+variable        y0 equal ${yi}
+variable        y0 equal 3.73309955163132
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.50184303044397
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.70548086924683
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     906   -2.9871562     -1.96883   -1.9584192 
+     907   -2.9871562     -1.96883   -1.9651462 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 53 x ${x0}
+set atom 53 x 6.49823891638834
+  1 settings made for x
+set atom $i y ${y0}
+set atom 53 y ${y0}
+set atom 53 y 3.73309955163132
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.96819095888778
+variable        y0 equal ${yi}
+variable        y0 equal 2.85498608323434
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 7.00566191950485
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.75901733609536
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     907   -2.9871562     -1.96883   -1.9651462 
+     908   -2.9871562     -1.96883   -1.9380834 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 34 x ${x0}
+set atom 34 x 6.96819095888778
+  1 settings made for x
+set atom $i y ${y0}
+set atom 34 y ${y0}
+set atom 34 y 2.85498608323434
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.07315314093276
+variable        y0 equal ${yi}
+variable        y0 equal 4.61574550026819
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 7.10430413761779
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.63864480608865
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     908   -2.9871562     -1.96883   -1.9380834 
+     909   -2.9871562     -1.96883   -1.9581143 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.07315314093276
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.61574550026819
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.36479252655717
+variable        y0 equal ${yi}
+variable        y0 equal 7.37975311603808
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.40430182297441
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.34347770538592
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     909   -2.9871562     -1.96883   -1.9581143 
+     910   -2.9871562     -1.96883   -1.9305019 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 89 x ${x0}
+set atom 89 x 4.36479252655717
+  1 settings made for x
+set atom $i y ${y0}
+set atom 89 y ${y0}
+set atom 89 y 7.37975311603808
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 99
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.79539506910918
+variable        y0 equal ${yi}
+variable        y0 equal 7.31491797294879
+
+set             atom $i x ${xnew}
+set             atom 99 x ${xnew}
+set             atom 99 x 9.8455915021765
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 99 y ${ynew}
+set             atom 99 y 7.25126606550479
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     910   -2.9871562     -1.96883   -1.9305019 
+     911   -2.9871562     -1.96883   -1.9345922 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 99 x ${x0}
+set atom 99 x 9.79539506910918
+  1 settings made for x
+set atom $i y ${y0}
+set atom 99 y ${y0}
+set atom 99 y 7.31491797294879
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.14655829985791
+variable        y0 equal ${yi}
+variable        y0 equal 7.47608772840762
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.0809653671568
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.46382458534503
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     911   -2.9871562     -1.96883   -1.9345922 
+     912   -2.9871562     -1.96883   -1.9738676 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.97386762752178
+variable naccept equal ${increment}
+variable naccept equal 275
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.62032703041811
+variable        y0 equal ${yi}
+variable        y0 equal 0.920044656503527
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.64134974360247
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 0.972303231466143
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     912   -2.9871562   -1.9738676   -1.9738676 
+     913   -2.9871562   -1.9738676   -1.9752551 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.97525508213883
+variable naccept equal ${increment}
+variable naccept equal 276
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.45333666641485
+variable        y0 equal ${yi}
+variable        y0 equal 0.0547606468200684
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.46753388483297
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y 0.0335806965827942
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     913   -2.9871562   -1.9752551   -1.9752551 
+     914   -2.9871562   -1.9752551   -1.9759005 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.9759004823869
+variable naccept equal ${increment}
+variable naccept equal 277
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.19388546387063
+variable        y0 equal ${yi}
+variable        y0 equal 3.77270575328004
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.10336983839379
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.81754927201402
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     914   -2.9871562   -1.9759005   -1.9759005 
+     915   -2.9871562   -1.9759005   -1.9339211 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 45 x ${x0}
+set atom 45 x 2.19388546387063
+  1 settings made for x
+set atom $i y ${y0}
+set atom 45 y ${y0}
+set atom 45 y 3.77270575328004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 49
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.29979468662949
+variable        y0 equal ${yi}
+variable        y0 equal 3.68506254716051
+
+set             atom $i x ${xnew}
+set             atom 49 x ${xnew}
+set             atom 49 x 4.304910982444
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 49 y ${ynew}
+set             atom 49 y 3.59916743798387
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     915   -2.9871562   -1.9759005   -1.9339211 
+     916   -2.9871562   -1.9759005   -1.8920455 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 49 x ${x0}
+set atom 49 x 4.29979468662949
+  1 settings made for x
+set atom $i y ${y0}
+set atom 49 y ${y0}
+set atom 49 y 3.68506254716051
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.49823891638834
+variable        y0 equal ${yi}
+variable        y0 equal 3.73309955163132
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.46294486044962
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.64447017474304
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     916   -2.9871562   -1.9759005   -1.8920455 
+     917   -2.9871562   -1.9759005   -1.9356762 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 53 x ${x0}
+set atom 53 x 6.49823891638834
+  1 settings made for x
+set atom $i y ${y0}
+set atom 53 y ${y0}
+set atom 53 y 3.73309955163132
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 3
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.926390245754054
+variable        y0 equal ${yi}
+variable        y0 equal 9.23904097783893
+
+set             atom $i x ${xnew}
+set             atom 3 x ${xnew}
+set             atom 3 x 0.826606264907649
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 3 y ${ynew}
+set             atom 3 y 9.16000170219272
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     917   -2.9871562   -1.9759005   -1.9356762 
+     918   -2.9871562   -1.9759005   -1.8791969 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 3 x ${x0}
+set atom 3 x 0.926390245754054
+  1 settings made for x
+set atom $i y ${y0}
+set atom 3 y ${y0}
+set atom 3 y 9.23904097783893
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 36
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.03611046670772
+variable        y0 equal ${yi}
+variable        y0 equal 2.66520280810693
+
+set             atom $i x ${xnew}
+set             atom 36 x ${xnew}
+set             atom 36 x 8.13470910190441
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 36 y ${ynew}
+set             atom 36 y 2.76480350467065
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     918   -2.9871562   -1.9759005   -1.8791969 
+     919   -2.9871562   -1.9759005    -1.974497 
+Loop time of 9.10759e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 36 x ${x0}
+set atom 36 x 8.03611046670772
+  1 settings made for x
+set atom $i y ${y0}
+set atom 36 y ${y0}
+set atom 36 y 2.66520280810693
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 93
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.37491369961817
+variable        y0 equal ${yi}
+variable        y0 equal 7.49044490185045
+
+set             atom $i x ${xnew}
+set             atom 93 x ${xnew}
+set             atom 93 x 6.32594456194956
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 93 y ${ynew}
+set             atom 93 y 7.5327549847629
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     919   -2.9871562   -1.9759005    -1.974497 
+     920   -2.9871562   -1.9759005   -1.9562908 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 93 x ${x0}
+set atom 93 x 6.37491369961817
+  1 settings made for x
+set atom $i y ${y0}
+set atom 93 y ${y0}
+set atom 93 y 7.49044490185045
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.97472019155017
+variable        y0 equal ${yi}
+variable        y0 equal 6.60899307266703
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 5.92934083898059
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.62002104059687
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     920   -2.9871562   -1.9759005   -1.9562908 
+     921   -2.9871562   -1.9759005   -1.9761373 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.97613733252864
+variable naccept equal ${increment}
+variable naccept equal 278
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.07315314093276
+variable        y0 equal ${yi}
+variable        y0 equal 4.61574550026819
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 6.97890646734878
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.54112321490213
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     921   -2.9871562   -1.9761373   -1.9761373 
+     922   -2.9871562   -1.9761373   -1.9394616 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.07315314093276
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.61574550026819
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.46753388483297
+variable        y0 equal ${yi}
+variable        y0 equal 0.0335806965827942
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.48726125795614
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y 0.016130006313324
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     922   -2.9871562   -1.9761373   -1.9394616 
+     923   -2.9871562   -1.9761373   -1.9756706 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 15 x ${x0}
+set atom 15 x 7.46753388483297
+  1 settings made for x
+set atom $i y ${y0}
+set atom 15 y ${y0}
+set atom 15 y 0.0335806965827942
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 32
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.90086858232013
+variable        y0 equal ${yi}
+variable        y0 equal 2.85332814427712
+
+set             atom $i x ${xnew}
+set             atom 32 x ${xnew}
+set             atom 32 x 5.96341886479846
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 32 y ${ynew}
+set             atom 32 y 2.7646158334861
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     923   -2.9871562   -1.9761373   -1.9756706 
+     924   -2.9871562   -1.9761373     -1.82011 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 32 x ${x0}
+set atom 32 x 5.90086858232013
+  1 settings made for x
+set atom $i y ${y0}
+set atom 32 y ${y0}
+set atom 32 y 2.85332814427712
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.648263963049
+variable        y0 equal ${yi}
+variable        y0 equal 9.2079006861481
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x 10.6009229858571
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 9.18416120517581
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     924   -2.9871562   -1.9761373     -1.82011 
+     925   -2.9871562   -1.9761373   -1.9771175 
+Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.97711745965933
+variable naccept equal ${increment}
+variable naccept equal 279
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.85786454001552
+variable        y0 equal ${yi}
+variable        y0 equal 2.82388043376306
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.83042392054683
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.90555106374124
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     925   -2.9871562   -1.9771175   -1.9771175 
+     926   -2.9871562   -1.9771175   -1.9333512 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.85786454001552
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.82388043376306
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.27487992127152
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.60176452343661
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     926   -2.9871562   -1.9771175   -1.9333512 
+     927   -2.9871562   -1.9771175   -1.9497774 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 93
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.37491369961817
+variable        y0 equal ${yi}
+variable        y0 equal 7.49044490185045
+
+set             atom $i x ${xnew}
+set             atom 93 x ${xnew}
+set             atom 93 x 6.38809825896342
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 93 y ${ynew}
+set             atom 93 y 7.41847480860018
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     927   -2.9871562   -1.9771175   -1.9497774 
+     928   -2.9871562   -1.9771175   -1.9489323 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 93 x ${x0}
+set atom 93 x 6.37491369961817
+  1 settings made for x
+set atom $i y ${y0}
+set atom 93 y ${y0}
+set atom 93 y 7.49044490185045
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.19388546387063
+variable        y0 equal ${yi}
+variable        y0 equal 3.77270575328004
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.09670307079659
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.74115505976808
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     928   -2.9871562   -1.9771175   -1.9489323 
+     929   -2.9871562   -1.9771175   -1.9380407 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 45 x ${x0}
+set atom 45 x 2.19388546387063
+  1 settings made for x
+set atom $i y ${y0}
+set atom 45 y ${y0}
+set atom 45 y 3.77270575328004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.00726719538078
+variable        y0 equal ${yi}
+variable        y0 equal 0.00341384410857337
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 2.09918585459099
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y -0.0787360072136007
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     929   -2.9871562   -1.9771175   -1.9380407 
+     930   -2.9871562   -1.9771175   -1.9717239 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 5 x ${x0}
+set atom 5 x 2.00726719538078
+  1 settings made for x
+set atom $i y ${y0}
+set atom 5 y ${y0}
+set atom 5 y 0.00341384410857337
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 68
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.79614609995967
+variable        y0 equal ${yi}
+variable        y0 equal 6.5482283546113
+
+set             atom $i x ${xnew}
+set             atom 68 x ${xnew}
+set             atom 68 x 3.7935756377328
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 68 y ${ynew}
+set             atom 68 y 6.64798465506067
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     930   -2.9871562   -1.9771175   -1.9717239 
+     931   -2.9871562   -1.9771175   -1.9345421 
+Loop time of 4.91142e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 68 x ${x0}
+set atom 68 x 3.79614609995967
+  1 settings made for x
+set atom $i y ${y0}
+set atom 68 y ${y0}
+set atom 68 y 6.5482283546113
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 37
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.49348578610842
+variable        y0 equal ${yi}
+variable        y0 equal 1.80821938893861
+
+set             atom $i x ${xnew}
+set             atom 37 x ${xnew}
+set             atom 37 x 8.51644313493197
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 37 y ${ynew}
+set             atom 37 y 1.73499640605516
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     931   -2.9871562   -1.9771175   -1.9345421 
+     932   -2.9871562   -1.9771175   -1.9451163 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 37 x ${x0}
+set atom 37 x 8.49348578610842
+  1 settings made for x
+set atom $i y ${y0}
+set atom 37 y ${y0}
+set atom 37 y 1.80821938893861
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.8845204738681
+variable        y0 equal ${yi}
+variable        y0 equal 1.04688491414817
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.89080204048797
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 0.962413962591011
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     932   -2.9871562   -1.9771175   -1.9451163 
+     933   -2.9871562   -1.9771175   -1.9967227 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -1.99672271522063
+variable naccept equal ${increment}
+variable naccept equal 280
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 63
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.987933591205408
+variable        y0 equal ${yi}
+variable        y0 equal 5.5415678853293
+
+set             atom $i x ${xnew}
+set             atom 63 x ${xnew}
+set             atom 63 x 0.947012272674372
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 63 y ${ynew}
+set             atom 63 y 5.55154130404192
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     933   -2.9871562   -1.9967227   -1.9967227 
+     934   -2.9871562   -1.9967227   -1.9831504 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 63 x ${x0}
+set atom 63 x 0.987933591205408
+  1 settings made for x
+set atom $i y ${y0}
+set atom 63 y ${y0}
+set atom 63 y 5.5415678853293
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 78
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.1799755902961
+variable        y0 equal ${yi}
+variable        y0 equal 6.56346605555049
+
+set             atom $i x ${xnew}
+set             atom 78 x ${xnew}
+set             atom 78 x 9.16654193121941
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 78 y ${ynew}
+set             atom 78 y 6.51635446087352
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     934   -2.9871562   -1.9967227   -1.9831504 
+     935   -2.9871562   -1.9967227   -2.0008559 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.00085594255312
+variable naccept equal ${increment}
+variable naccept equal 281
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.16921079794274
+variable        y0 equal ${yi}
+variable        y0 equal 1.86157575032777
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.20431806484566
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.82038443467683
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     935   -2.9871562   -2.0008559   -2.0008559 
+     936   -2.9871562   -2.0008559   -1.9840353 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.16921079794274
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.86157575032777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.68808116793414
+variable        y0 equal ${yi}
+variable        y0 equal 6.45315314070217
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.64526860594531
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.41764770285122
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     936   -2.9871562   -2.0008559   -1.9840353 
+     937   -2.9871562   -2.0008559   -1.9820762 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.68808116793414
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.45315314070217
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 86
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.76742996175719
+variable        y0 equal ${yi}
+variable        y0 equal 8.37876136220989
+
+set             atom $i x ${xnew}
+set             atom 86 x ${xnew}
+set             atom 86 x 2.73339517314864
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 86 y ${ynew}
+set             atom 86 y 8.40177918590603
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     937   -2.9871562   -2.0008559   -1.9820762 
+     938   -2.9871562   -2.0008559   -2.0097745 
+Loop time of 3.88622e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.0097744768316
+variable naccept equal ${increment}
+variable naccept equal 282
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1789412740728
+variable        y0 equal ${yi}
+variable        y0 equal 2.78276804658273
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.1817926649114
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.88217049809793
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     938   -2.9871562   -2.0097745   -2.0097745 
+     939   -2.9871562   -2.0097745   -1.9986705 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.1789412740728
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.78276804658273
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.34766563891488
+variable        y0 equal ${yi}
+variable        y0 equal 0.0114601254463231
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.36779002665597
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y 0.0310999035835302
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     939   -2.9871562   -2.0097745   -1.9986705 
+     940   -2.9871562   -2.0097745   -2.0105193 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.01051930844619
+variable naccept equal ${increment}
+variable naccept equal 283
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 97
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.64328949609225
+variable        y0 equal ${yi}
+variable        y0 equal 7.40728055563236
+
+set             atom $i x ${xnew}
+set             atom 97 x ${xnew}
+set             atom 97 x 8.62844499507372
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 97 y ${ynew}
+set             atom 97 y 7.39608570661808
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     940   -2.9871562   -2.0105193   -2.0105193 
+     941   -2.9871562   -2.0105193   -2.0066773 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 97 x ${x0}
+set atom 97 x 8.64328949609225
+  1 settings made for x
+set atom $i y ${y0}
+set atom 97 y ${y0}
+set atom 97 y 7.40728055563236
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.78193971434718
+variable        y0 equal ${yi}
+variable        y0 equal 8.31736352361736
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.84608986893779
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.27020299352703
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     941   -2.9871562   -2.0105193   -2.0066773 
+     942   -2.9871562   -2.0105193   -1.9758708 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.78193971434718
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.31736352361736
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.11236243842937
+variable        y0 equal ${yi}
+variable        y0 equal 8.24853718198832
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.10710121988155
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.30234856523569
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     942   -2.9871562   -2.0105193   -1.9758708 
+     943   -2.9871562   -2.0105193   -2.0096438 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.11236243842937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.24853718198832
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31064851680662
+variable        y0 equal ${yi}
+variable        y0 equal 1.91864991567201
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.25247627893354
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 1.84631522080964
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     943   -2.9871562   -2.0105193   -2.0096438 
+     944   -2.9871562   -2.0105193   -1.9487119 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 31 x ${x0}
+set atom 31 x 5.31064851680662
+  1 settings made for x
+set atom $i y ${y0}
+set atom 31 y ${y0}
+set atom 31 y 1.91864991567201
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 23
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.07676643450909
+variable        y0 equal ${yi}
+variable        y0 equal 1.85376013896531
+
+set             atom $i x ${xnew}
+set             atom 23 x ${xnew}
+set             atom 23 x 0.989978400070003
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 23 y ${ynew}
+set             atom 23 y 1.847405151344
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     944   -2.9871562   -2.0105193   -1.9487119 
+     945   -2.9871562   -2.0105193   -1.9554443 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 23 x ${x0}
+set atom 23 x 1.07676643450909
+  1 settings made for x
+set atom $i y ${y0}
+set atom 23 y ${y0}
+set atom 23 y 1.85376013896531
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.43885856071379
+variable        y0 equal ${yi}
+variable        y0 equal 5.558475553443
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.45408050218489
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.46100592558579
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     945   -2.9871562   -2.0105193   -1.9554443 
+     946   -2.9871562   -2.0105193   -1.9989917 
+Loop time of 4.69685e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 71 x ${x0}
+set atom 71 x 5.43885856071379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 71 y ${y0}
+set atom 71 y 5.558475553443
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 50
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.95269535421668
+variable        y0 equal ${yi}
+variable        y0 equal 4.50253551358148
+
+set             atom $i x ${xnew}
+set             atom 50 x ${xnew}
+set             atom 50 x 5.04309845804511
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 50 y ${ynew}
+set             atom 50 y 4.52357330674096
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     946   -2.9871562   -2.0105193   -1.9989917 
+     947   -2.9871562   -2.0105193    -1.957661 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 50 x ${x0}
+set atom 50 x 4.95269535421668
+  1 settings made for x
+set atom $i y ${y0}
+set atom 50 y ${y0}
+set atom 50 y 4.50253551358148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.9899615760564
+variable        y0 equal ${yi}
+variable        y0 equal 4.5907792245762
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 5.98771724660389
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.55275007838174
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     947   -2.9871562   -2.0105193    -1.957661 
+     948   -2.9871562   -2.0105193   -1.9934779 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 52 x ${x0}
+set atom 52 x 5.9899615760564
+  1 settings made for x
+set atom $i y ${y0}
+set atom 52 y ${y0}
+set atom 52 y 4.5907792245762
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 3
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.926390245754054
+variable        y0 equal ${yi}
+variable        y0 equal 9.23904097783893
+
+set             atom $i x ${xnew}
+set             atom 3 x ${xnew}
+set             atom 3 x 0.871991947490504
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 3 y ${ynew}
+set             atom 3 y 9.14019599664539
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     948   -2.9871562   -2.0105193   -1.9934779 
+     949   -2.9871562   -2.0105193   -1.9527125 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 3 x ${x0}
+set atom 3 x 0.926390245754054
+  1 settings made for x
+set atom $i y ${y0}
+set atom 3 y ${y0}
+set atom 3 y 9.23904097783893
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.55546174207155
+variable        y0 equal ${yi}
+variable        y0 equal 5.67337435429292
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.60061494269792
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.59898523037629
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     949   -2.9871562   -2.0105193   -1.9527125 
+     950   -2.9871562   -2.0105193   -1.9184963 
+Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 77 x ${x0}
+set atom 77 x 8.55546174207155
+  1 settings made for x
+set atom $i y ${y0}
+set atom 77 y ${y0}
+set atom 77 y 5.67337435429292
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 100
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1610254410764
+variable        y0 equal ${yi}
+variable        y0 equal 8.2609955064207
+
+set             atom $i x ${xnew}
+set             atom 100 x ${xnew}
+set             atom 100 x 10.1866167191526
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 100 y ${ynew}
+set             atom 100 y 8.29240183748302
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     950   -2.9871562   -2.0105193   -1.9184963 
+     951   -2.9871562   -2.0105193   -2.0075633 
+Loop time of 3.91006e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 100 x ${x0}
+set atom 100 x 10.1610254410764
+  1 settings made for x
+set atom $i y ${y0}
+set atom 100 y ${y0}
+set atom 100 y 8.2609955064207
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.61125521540423
+variable        y0 equal ${yi}
+variable        y0 equal 4.63791933411523
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.6141591179349
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.62077691906854
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     951   -2.9871562   -2.0105193   -2.0075633 
+     952   -2.9871562   -2.0105193   -2.0055136 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 44 x ${x0}
+set atom 44 x 1.61125521540423
+  1 settings made for x
+set atom $i y ${y0}
+set atom 44 y ${y0}
+set atom 44 y 4.63791933411523
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.85786454001552
+variable        y0 equal ${yi}
+variable        y0 equal 2.82388043376306
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.88968325177318
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.90741187306741
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     952   -2.9871562   -2.0105193   -2.0055136 
+     953   -2.9871562   -2.0105193   -1.9155082 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.85786454001552
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.82388043376306
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 76
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.12744101880885
+variable        y0 equal ${yi}
+variable        y0 equal 6.56631985441675
+
+set             atom $i x ${xnew}
+set             atom 76 x ${xnew}
+set             atom 76 x 8.13395232557155
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 76 y ${ynew}
+set             atom 76 y 6.60246086851587
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     953   -2.9871562   -2.0105193   -1.9155082 
+     954   -2.9871562   -2.0105193   -2.0009361 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 76 x ${x0}
+set atom 76 x 8.12744101880885
+  1 settings made for x
+set atom $i y ${y0}
+set atom 76 y ${y0}
+set atom 76 y 6.56631985441675
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 98
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.16308992821724
+variable        y0 equal ${yi}
+variable        y0 equal 8.28462620891627
+
+set             atom $i x ${xnew}
+set             atom 98 x ${xnew}
+set             atom 98 x 9.09553720671684
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 98 y ${ynew}
+set             atom 98 y 8.19967361606654
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     954   -2.9871562   -2.0105193   -2.0009361 
+     955   -2.9871562   -2.0105193     -1.95267 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 98 x ${x0}
+set atom 98 x 9.16308992821724
+  1 settings made for x
+set atom $i y ${y0}
+set atom 98 y ${y0}
+set atom 98 y 8.28462620891627
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.89080204048797
+variable        y0 equal ${yi}
+variable        y0 equal 0.962413962591011
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.91170749941513
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 1.04060622047218
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     955   -2.9871562   -2.0105193     -1.95267 
+     956   -2.9871562   -2.0105193    -1.981478 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 14 x ${x0}
+set atom 14 x 6.89080204048797
+  1 settings made for x
+set atom $i y ${y0}
+set atom 14 y ${y0}
+set atom 14 y 0.962413962591011
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 75
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.43141517479192
+variable        y0 equal ${yi}
+variable        y0 equal 5.56478210632998
+
+set             atom $i x ${xnew}
+set             atom 75 x ${xnew}
+set             atom 75 x 7.45180635292302
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 75 y ${ynew}
+set             atom 75 y 5.48564268295962
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     956   -2.9871562   -2.0105193    -1.981478 
+     957   -2.9871562   -2.0105193   -1.9913186 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 75 x ${x0}
+set atom 75 x 7.43141517479192
+  1 settings made for x
+set atom $i y ${y0}
+set atom 75 y ${y0}
+set atom 75 y 5.56478210632998
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.55546174207155
+variable        y0 equal ${yi}
+variable        y0 equal 5.67337435429292
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.54711809316103
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.64299418871599
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     957   -2.9871562   -2.0105193   -1.9913186 
+     958   -2.9871562   -2.0105193   -2.0054764 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 77 x ${x0}
+set atom 77 x 8.55546174207155
+  1 settings made for x
+set atom $i y ${y0}
+set atom 77 y ${y0}
+set atom 77 y 5.67337435429292
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.3118768103859
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.48518830483157
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     958   -2.9871562   -2.0105193   -2.0054764 
+     959   -2.9871562   -2.0105193   -2.0016175 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.41471889097901
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.61577713434894
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     959   -2.9871562   -2.0105193   -2.0016175 
+     960   -2.9871562   -2.0105193   -1.9839583 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 100
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1610254410764
+variable        y0 equal ${yi}
+variable        y0 equal 8.2609955064207
+
+set             atom $i x ${xnew}
+set             atom 100 x ${xnew}
+set             atom 100 x 10.1767694000264
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 100 y ${ynew}
+set             atom 100 y 8.21905875124034
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     960   -2.9871562   -2.0105193   -1.9839583 
+     961   -2.9871562   -2.0105193   -2.0029981 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 100 x ${x0}
+set atom 100 x 10.1610254410764
+  1 settings made for x
+set atom $i y ${y0}
+set atom 100 y ${y0}
+set atom 100 y 8.2609955064207
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 67
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.31808795690099
+variable        y0 equal ${yi}
+variable        y0 equal 5.6091846699019
+
+set             atom $i x ${xnew}
+set             atom 67 x ${xnew}
+set             atom 67 x 3.40796824454824
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 67 y ${ynew}
+set             atom 67 y 5.68428611700731
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     961   -2.9871562   -2.0105193   -2.0029981 
+     962   -2.9871562   -2.0105193     -1.96177 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 67 x ${x0}
+set atom 67 x 3.31808795690099
+  1 settings made for x
+set atom $i y ${y0}
+set atom 67 y ${y0}
+set atom 67 y 5.6091846699019
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.67562869985534
+variable        y0 equal ${yi}
+variable        y0 equal 0.952592285383071
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.74599224527313
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 1.03324409316811
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     962   -2.9871562   -2.0105193     -1.96177 
+     963   -2.9871562   -2.0105193   -1.9898852 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 6 x ${x0}
+set atom 6 x 2.67562869985534
+  1 settings made for x
+set atom $i y ${y0}
+set atom 6 y ${y0}
+set atom 6 y 0.952592285383071
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.54407576480333
+variable        y0 equal ${yi}
+variable        y0 equal 3.66106940074097
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.49197681107942
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.56451725525986
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     963   -2.9871562   -2.0105193   -1.9898852 
+     964   -2.9871562   -2.0105193   -1.9969219 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 57 x ${x0}
+set atom 57 x 8.54407576480333
+  1 settings made for x
+set atom $i y ${y0}
+set atom 57 y ${y0}
+set atom 57 y 3.66106940074097
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 97
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.64328949609225
+variable        y0 equal ${yi}
+variable        y0 equal 7.40728055563236
+
+set             atom $i x ${xnew}
+set             atom 97 x ${xnew}
+set             atom 97 x 8.5584432379288
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 97 y ${ynew}
+set             atom 97 y 7.33544211712146
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     964   -2.9871562   -2.0105193   -1.9969219 
+     965   -2.9871562   -2.0105193   -1.9239203 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 97 x ${x0}
+set atom 97 x 8.64328949609225
+  1 settings made for x
+set atom $i y ${y0}
+set atom 97 y ${y0}
+set atom 97 y 7.40728055563236
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.16921079794274
+variable        y0 equal ${yi}
+variable        y0 equal 1.86157575032777
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.22802682558404
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.86245326182908
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     965   -2.9871562   -2.0105193   -1.9239203 
+     966   -2.9871562   -2.0105193   -1.9950277 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.16921079794274
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.86157575032777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 36
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.03611046670772
+variable        y0 equal ${yi}
+variable        y0 equal 2.66520280810693
+
+set             atom $i x ${xnew}
+set             atom 36 x ${xnew}
+set             atom 36 x 8.09307445882656
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 36 y ${ynew}
+set             atom 36 y 2.61020187112191
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     966   -2.9871562   -2.0105193   -1.9950277 
+     967   -2.9871562   -2.0105193   -1.9468985 
+Loop time of 8.4877e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 36 x ${x0}
+set atom 36 x 8.03611046670772
+  1 settings made for x
+set atom $i y ${y0}
+set atom 36 y ${y0}
+set atom 36 y 2.66520280810693
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.78193971434718
+variable        y0 equal ${yi}
+variable        y0 equal 8.31736352361736
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.87311658183223
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.271596025601
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     967   -2.9871562   -2.0105193   -1.9468985 
+     968   -2.9871562   -2.0105193   -1.9475407 
+Loop time of 4.81606e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.78193971434718
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.31736352361736
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 79
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.71175088165876
+variable        y0 equal ${yi}
+variable        y0 equal 5.71374509279924
+
+set             atom $i x ${xnew}
+set             atom 79 x ${xnew}
+set             atom 79 x 9.68903712509748
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 79 y ${ynew}
+set             atom 79 y 5.63455642407136
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     968   -2.9871562   -2.0105193   -1.9475407 
+     969   -2.9871562   -2.0105193    -1.977876 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 79 x ${x0}
+set atom 79 x 9.71175088165876
+  1 settings made for x
+set atom $i y ${y0}
+set atom 79 y ${y0}
+set atom 79 y 5.71374509279924
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.77716802000341
+variable        y0 equal ${yi}
+variable        y0 equal 8.29469001211223
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.6803130233222
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.20836156524715
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     969   -2.9871562   -2.0105193    -1.977876 
+     970   -2.9871562   -2.0105193    -1.857719 
+Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 90 x ${x0}
+set atom 90 x 4.77716802000341
+  1 settings made for x
+set atom $i y ${y0}
+set atom 90 y ${y0}
+set atom 90 y 8.29469001211223
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.15771750847207
+variable        y0 equal ${yi}
+variable        y0 equal 7.45649659958148
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.10840386787759
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.42985259619021
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     970   -2.9871562   -2.0105193    -1.857719 
+     971   -2.9871562   -2.0105193   -2.0080662 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.15771750847207
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.45649659958148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.67562869985534
+variable        y0 equal ${yi}
+variable        y0 equal 0.952592285383071
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.69106418092681
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 0.920749815214004
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     971   -2.9871562   -2.0105193   -2.0080662 
+     972   -2.9871562   -2.0105193   -2.0111912 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.01119119691954
+variable naccept equal ${increment}
+variable naccept equal 284
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.15771750847207
+variable        y0 equal ${yi}
+variable        y0 equal 7.45649659958148
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.07640002409326
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.45957515564227
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     972   -2.9871562   -2.0111912   -2.0111912 
+     973   -2.9871562   -2.0111912   -1.9976884 
+Loop time of 3.91006e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.15771750847207
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.45649659958148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 24
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.66311051726122
+variable        y0 equal ${yi}
+variable        y0 equal 2.84872870417932
+
+set             atom $i x ${xnew}
+set             atom 24 x ${xnew}
+set             atom 24 x 1.69490927338381
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 24 y ${ynew}
+set             atom 24 y 2.90885456773141
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     973   -2.9871562   -2.0111912   -1.9976884 
+     974   -2.9871562   -2.0111912   -1.9844613 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 24 x ${x0}
+set atom 24 x 1.66311051726122
+  1 settings made for x
+set atom $i y ${y0}
+set atom 24 y ${y0}
+set atom 24 y 2.84872870417932
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.0809653671568
+variable        y0 equal ${yi}
+variable        y0 equal 7.46382458534503
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.08855005820447
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.51366689529681
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     974   -2.9871562   -2.0111912   -1.9844613 
+     975   -2.9871562   -2.0111912   -2.0063313 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.0809653671568
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.46382458534503
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.82787996728849
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.67938236349984
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     975   -2.9871562   -2.0111912   -2.0063313 
+     976   -2.9871562   -2.0111912   -1.9781597 
+Loop time of 4.57764e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 100
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1610254410764
+variable        y0 equal ${yi}
+variable        y0 equal 8.2609955064207
+
+set             atom $i x ${xnew}
+set             atom 100 x ${xnew}
+set             atom 100 x 10.1895380620023
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 100 y ${ynew}
+set             atom 100 y 8.21165978826579
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     976   -2.9871562   -2.0111912   -1.9781597 
+     977   -2.9871562   -2.0111912   -2.0007475 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 100 x ${x0}
+set atom 100 x 10.1610254410764
+  1 settings made for x
+set atom $i y ${y0}
+set atom 100 y ${y0}
+set atom 100 y 8.2609955064207
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 49
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.29979468662949
+variable        y0 equal ${yi}
+variable        y0 equal 3.68506254716051
+
+set             atom $i x ${xnew}
+set             atom 49 x ${xnew}
+set             atom 49 x 4.28454213221283
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 49 y ${ynew}
+set             atom 49 y 3.67393827004564
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     977   -2.9871562   -2.0111912   -2.0007475 
+     978   -2.9871562   -2.0111912   -2.0026169 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 49 x ${x0}
+set atom 49 x 4.29979468662949
+  1 settings made for x
+set atom $i y ${y0}
+set atom 49 y ${y0}
+set atom 49 y 3.68506254716051
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.40123975673582
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y 0.0143717408180212
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     978   -2.9871562   -2.0111912   -2.0026169 
+     979   -2.9871562   -2.0111912   -1.9976201 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.64134974360247
+variable        y0 equal ${yi}
+variable        y0 equal 0.972303231466143
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.61369351029177
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 0.934760852563708
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     979   -2.9871562   -2.0111912   -1.9976201 
+     980   -2.9871562   -2.0111912   -2.0103029 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 4 x ${x0}
+set atom 4 x 1.64134974360247
+  1 settings made for x
+set atom $i y ${y0}
+set atom 4 y ${y0}
+set atom 4 y 0.972303231466143
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.87741336464225
+variable        y0 equal ${yi}
+variable        y0 equal 6.4556893421792
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.93757978319465
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.49856401220789
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     980   -2.9871562   -2.0111912   -2.0103029 
+     981   -2.9871562   -2.0111912   -2.0015759 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 4.87741336464225
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.4556893421792
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6009229858571
+variable        y0 equal ${yi}
+variable        y0 equal 9.18416120517581
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x 10.5994419654065
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 9.28280647504657
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     981   -2.9871562   -2.0111912   -2.0015759 
+     982   -2.9871562   -2.0111912   -2.0037555 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 1 x ${x0}
+set atom 1 x 10.6009229858571
+  1 settings made for x
+set atom $i y ${y0}
+set atom 1 y ${y0}
+set atom 1 y 9.18416120517581
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.76206280509119
+variable        y0 equal ${yi}
+variable        y0 equal 4.61360334509775
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.73812462607508
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.6841193711178
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     982   -2.9871562   -2.0111912   -2.0037555 
+     983   -2.9871562   -2.0111912   -2.0029308 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 48 x ${x0}
+set atom 48 x 3.76206280509119
+  1 settings made for x
+set atom $i y ${y0}
+set atom 48 y ${y0}
+set atom 48 y 4.61360334509775
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.50235789218808
+variable        y0 equal ${yi}
+variable        y0 equal 3.73372400565278
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.50922893682385
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.69054728312623
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     983   -2.9871562   -2.0111912   -2.0029308 
+     984   -2.9871562   -2.0111912   -2.0055099 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 51 x ${x0}
+set atom 51 x 5.50235789218808
+  1 settings made for x
+set atom $i y ${y0}
+set atom 51 y ${y0}
+set atom 51 y 3.73372400565278
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.61125521540423
+variable        y0 equal ${yi}
+variable        y0 equal 4.63791933411523
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.59001860499163
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.68076303357049
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     984   -2.9871562   -2.0111912   -2.0055099 
+     985   -2.9871562   -2.0111912   -2.0153969 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.01539686685533
+variable naccept equal ${increment}
+variable naccept equal 285
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.46753388483297
+variable        y0 equal ${yi}
+variable        y0 equal 0.0335806965827942
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.38220358927023
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y 0.0202989220619202
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     985   -2.9871562   -2.0153969   -2.0153969 
+     986   -2.9871562   -2.0153969   -1.9993034 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 15 x ${x0}
+set atom 15 x 7.46753388483297
+  1 settings made for x
+set atom $i y ${y0}
+set atom 15 y ${y0}
+set atom 15 y 0.0335806965827942
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.46753388483297
+variable        y0 equal ${yi}
+variable        y0 equal 0.0335806965827942
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.45040792066824
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y 0.116819703578949
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     986   -2.9871562   -2.0153969   -1.9993034 
+     987   -2.9871562   -2.0153969   -1.9929077 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 15 x ${x0}
+set atom 15 x 7.46753388483297
+  1 settings made for x
+set atom $i y ${y0}
+set atom 15 y ${y0}
+set atom 15 y 0.0335806965827942
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 78
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.16654193121941
+variable        y0 equal ${yi}
+variable        y0 equal 6.51635446087352
+
+set             atom $i x ${xnew}
+set             atom 78 x ${xnew}
+set             atom 78 x 9.07657171208412
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 78 y ${ynew}
+set             atom 78 y 6.59827667013637
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     987   -2.9871562   -2.0153969   -1.9929077 
+     988   -2.9871562   -2.0153969   -1.9564206 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 78 x ${x0}
+set atom 78 x 9.16654193121941
+  1 settings made for x
+set atom $i y ${y0}
+set atom 78 y ${y0}
+set atom 78 y 6.51635446087352
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.545649071136379
+variable        y0 equal ${yi}
+variable        y0 equal 2.77431966039041
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.454765839973354
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.70701327296594
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     988   -2.9871562   -2.0153969   -1.9564206 
+     989   -2.9871562   -2.0153969   -1.9472217 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.545649071136379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.77431966039041
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.76206280509119
+variable        y0 equal ${yi}
+variable        y0 equal 4.61360334509775
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.68405063668375
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.54020746106073
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     989   -2.9871562   -2.0153969   -1.9472217 
+     990   -2.9871562   -2.0153969   -1.9408568 
+Loop time of 4.79221e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 48 x ${x0}
+set atom 48 x 3.76206280509119
+  1 settings made for x
+set atom $i y ${y0}
+set atom 48 y ${y0}
+set atom 48 y 4.61360334509775
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 75
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.43141517479192
+variable        y0 equal ${yi}
+variable        y0 equal 5.56478210632998
+
+set             atom $i x ${xnew}
+set             atom 75 x ${xnew}
+set             atom 75 x 7.51190109092961
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 75 y ${ynew}
+set             atom 75 y 5.64376431648928
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     990   -2.9871562   -2.0153969   -1.9408568 
+     991   -2.9871562   -2.0153969   -2.0182852 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.01828519388715
+variable naccept equal ${increment}
+variable naccept equal 286
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.33299971897813
+variable        y0 equal ${yi}
+variable        y0 equal 1.87642453095979
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.37249472220155
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.93929486653871
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     991   -2.9871562   -2.0182852   -2.0182852 
+     992   -2.9871562   -2.0182852   -2.0061118 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.33299971897813
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.87642453095979
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.76206280509119
+variable        y0 equal ${yi}
+variable        y0 equal 4.61360334509775
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.71444997111444
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.53325893038675
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     992   -2.9871562   -2.0182852   -2.0061118 
+     993   -2.9871562   -2.0182852   -1.9639339 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 48 x ${x0}
+set atom 48 x 3.76206280509119
+  1 settings made for x
+set atom $i y ${y0}
+set atom 48 y ${y0}
+set atom 48 y 4.61360334509775
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 35
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.37088978130592
+variable        y0 equal ${yi}
+variable        y0 equal 1.86757599494523
+
+set             atom $i x ${xnew}
+set             atom 35 x ${xnew}
+set             atom 35 x 7.28835247595085
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 35 y ${ynew}
+set             atom 35 y 1.93444654128617
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     993   -2.9871562   -2.0182852   -1.9639339 
+     994   -2.9871562   -2.0182852   -1.9307029 
+Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 35 x ${x0}
+set atom 35 x 7.37088978130592
+  1 settings made for x
+set atom $i y ${y0}
+set atom 35 y ${y0}
+set atom 35 y 1.86757599494523
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.16921079794274
+variable        y0 equal ${yi}
+variable        y0 equal 1.86157575032777
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.23430073896752
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.88538163087434
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     994   -2.9871562   -2.0182852   -1.9307029 
+     995   -2.9871562   -2.0182852   -2.0014678 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.16921079794274
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.86157575032777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.07315314093276
+variable        y0 equal ${yi}
+variable        y0 equal 4.61574550026819
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 7.01321409025832
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.53823720568582
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     995   -2.9871562   -2.0182852   -2.0014678 
+     996   -2.9871562   -2.0182852   -1.9856193 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.07315314093276
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.61574550026819
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.14132251460106
+variable        y0 equal ${yi}
+variable        y0 equal 4.91687022799417
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 9.12651166636497
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.91072322482034
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     996   -2.9871562   -2.0182852   -1.9856193 
+     997   -2.9871562   -2.0182852   -2.0203928 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.02039275958247
+variable naccept equal ${increment}
+variable naccept equal 287
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 60
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1148146752378
+variable        y0 equal ${yi}
+variable        y0 equal 4.54698911065027
+
+set             atom $i x ${xnew}
+set             atom 60 x ${xnew}
+set             atom 60 x 10.0525232318899
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 60 y ${ynew}
+set             atom 60 y 4.52837975377008
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     997   -2.9871562   -2.0203928   -2.0203928 
+     998   -2.9871562   -2.0203928   -2.0028725 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 60 x ${x0}
+set atom 60 x 10.1148146752378
+  1 settings made for x
+set atom $i y ${y0}
+set atom 60 y ${y0}
+set atom 60 y 4.54698911065027
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 76
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.12744101880885
+variable        y0 equal ${yi}
+variable        y0 equal 6.56631985441675
+
+set             atom $i x ${xnew}
+set             atom 76 x ${xnew}
+set             atom 76 x 8.14934177993632
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 76 y ${ynew}
+set             atom 76 y 6.48619654909601
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     998   -2.9871562   -2.0203928   -2.0028725 
+     999   -2.9871562   -2.0203928   -1.9762711 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 76 x ${x0}
+set atom 76 x 8.12744101880885
+  1 settings made for x
+set atom $i y ${y0}
+set atom 76 y ${y0}
+set atom 76 y 6.56631985441675
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 38
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.17293971497565
+variable        y0 equal ${yi}
+variable        y0 equal 2.77695646258691
+
+set             atom $i x ${xnew}
+set             atom 38 x ${xnew}
+set             atom 38 x 9.18323485571891
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 38 y ${ynew}
+set             atom 38 y 2.84362585517266
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+     999   -2.9871562   -2.0203928   -1.9762711 
+    1000   -2.9871562   -2.0203928   -1.9835827 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 38 x ${x0}
+set atom 38 x 9.17293971497565
+  1 settings made for x
+set atom $i y ${y0}
+set atom 38 y ${y0}
+set atom 38 y 2.77695646258691
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.83310471732608
+variable        y0 equal ${yi}
+variable        y0 equal 8.3484317771345
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.85192655284396
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.2920795909315
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1000   -2.9871562   -2.0203928   -1.9835827 
+    1001   -2.9871562   -2.0203928   -1.9943288 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 92 x ${x0}
+set atom 92 x 5.83310471732608
+  1 settings made for x
+set atom $i y ${y0}
+set atom 92 y ${y0}
+set atom 92 y 8.3484317771345
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 100
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1610254410764
+variable        y0 equal ${yi}
+variable        y0 equal 8.2609955064207
+
+set             atom $i x ${xnew}
+set             atom 100 x ${xnew}
+set             atom 100 x 10.1997180942556
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 100 y ${ynew}
+set             atom 100 y 8.34496824659404
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1001   -2.9871562   -2.0203928   -1.9943288 
+    1002   -2.9871562   -2.0203928   -1.9908438 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 100 x ${x0}
+set atom 100 x 10.1610254410764
+  1 settings made for x
+set atom $i y ${y0}
+set atom 100 y ${y0}
+set atom 100 y 8.2609955064207
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.12651166636497
+variable        y0 equal ${yi}
+variable        y0 equal 4.91072322482034
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 9.08689599949867
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.81755102032586
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1002   -2.9871562   -2.0203928   -1.9908438 
+    1003   -2.9871562   -2.0203928   -2.0462053 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.0462052611432
+variable naccept equal ${increment}
+variable naccept equal 288
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 3
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.926390245754054
+variable        y0 equal ${yi}
+variable        y0 equal 9.23904097783893
+
+set             atom $i x ${xnew}
+set             atom 3 x ${xnew}
+set             atom 3 x 0.874914744693568
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 3 y ${ynew}
+set             atom 3 y 9.21546940315097
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1003   -2.9871562   -2.0462053   -2.0462053 
+    1004   -2.9871562   -2.0462053   -2.0318441 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 3 x ${x0}
+set atom 3 x 0.926390245754054
+  1 settings made for x
+set atom $i y ${y0}
+set atom 3 y ${y0}
+set atom 3 y 9.23904097783893
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.87741336464225
+variable        y0 equal ${yi}
+variable        y0 equal 6.4556893421792
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.87644710182487
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.36425277725687
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1004   -2.9871562   -2.0462053   -2.0318441 
+    1005   -2.9871562   -2.0462053   -2.0209287 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 4.87741336464225
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.4556893421792
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 24
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.66311051726122
+variable        y0 equal ${yi}
+variable        y0 equal 2.84872870417932
+
+set             atom $i x ${xnew}
+set             atom 24 x ${xnew}
+set             atom 24 x 1.68909932255526
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 24 y ${ynew}
+set             atom 24 y 2.76107822629312
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1005   -2.9871562   -2.0462053   -2.0209287 
+    1006   -2.9871562   -2.0462053   -2.0383307 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 24 x ${x0}
+set atom 24 x 1.66311051726122
+  1 settings made for x
+set atom $i y ${y0}
+set atom 24 y ${y0}
+set atom 24 y 2.84872870417932
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 97
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.64328949609225
+variable        y0 equal ${yi}
+variable        y0 equal 7.40728055563236
+
+set             atom $i x ${xnew}
+set             atom 97 x ${xnew}
+set             atom 97 x 8.63759555974429
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 97 y ${ynew}
+set             atom 97 y 7.39139666881824
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1006   -2.9871562   -2.0462053   -2.0383307 
+    1007   -2.9871562   -2.0462053   -2.0435715 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 97 x ${x0}
+set atom 97 x 8.64328949609225
+  1 settings made for x
+set atom $i y ${y0}
+set atom 97 y ${y0}
+set atom 97 y 7.40728055563236
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 50
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.95269535421668
+variable        y0 equal ${yi}
+variable        y0 equal 4.50253551358148
+
+set             atom $i x ${xnew}
+set             atom 50 x ${xnew}
+set             atom 50 x 4.97187389969169
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 50 y ${ynew}
+set             atom 50 y 4.50596614235803
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1007   -2.9871562   -2.0462053   -2.0435715 
+    1008   -2.9871562   -2.0462053   -2.0388376 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 50 x ${x0}
+set atom 50 x 4.95269535421668
+  1 settings made for x
+set atom $i y ${y0}
+set atom 50 y ${y0}
+set atom 50 y 4.50253551358148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.545649071136379
+variable        y0 equal ${yi}
+variable        y0 equal 2.77431966039041
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.614764948287868
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.86428352567056
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1008   -2.9871562   -2.0462053   -2.0388376 
+    1009   -2.9871562   -2.0462053   -2.0376496 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.545649071136379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.77431966039041
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.16921079794274
+variable        y0 equal ${yi}
+variable        y0 equal 1.86157575032777
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.23062159458504
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.87301285646028
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1009   -2.9871562   -2.0462053   -2.0376496 
+    1010   -2.9871562   -2.0462053   -2.0317141 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.16921079794274
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.86157575032777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 30
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.8951647126609
+variable        y0 equal ${yi}
+variable        y0 equal 2.85868977280953
+
+set             atom $i x ${xnew}
+set             atom 30 x ${xnew}
+set             atom 30 x 4.94066793560325
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 30 y ${ynew}
+set             atom 30 y 2.92621511193612
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1010   -2.9871562   -2.0462053   -2.0317141 
+    1011   -2.9871562   -2.0462053   -2.0197418 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 30 x ${x0}
+set atom 30 x 4.8951647126609
+  1 settings made for x
+set atom $i y ${y0}
+set atom 30 y ${y0}
+set atom 30 y 2.85868977280953
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6009229858571
+variable        y0 equal ${yi}
+variable        y0 equal 9.18416120517581
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x 10.6484374483281
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 9.18040676820605
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1011   -2.9871562   -2.0462053   -2.0197418 
+    1012   -2.9871562   -2.0462053   -2.0408073 
+Loop time of 4.81606e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 1 x ${x0}
+set atom 1 x 10.6009229858571
+  1 settings made for x
+set atom $i y ${y0}
+set atom 1 y ${y0}
+set atom 1 y 9.18416120517581
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.0809653671568
+variable        y0 equal ${yi}
+variable        y0 equal 7.46382458534503
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.08722542842084
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.37323065128589
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1012   -2.9871562   -2.0462053   -2.0408073 
+    1013   -2.9871562   -2.0462053   -2.0273178 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.0809653671568
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.46382458534503
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.51275517780553
+variable        y0 equal ${yi}
+variable        y0 equal 3.68194531960619
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.57453483183156
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.78015425963533
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1013   -2.9871562   -2.0462053   -2.0273178 
+    1014   -2.9871562   -2.0462053   -2.0337976 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 55 x ${x0}
+set atom 55 x 7.51275517780553
+  1 settings made for x
+set atom $i y ${y0}
+set atom 55 y ${y0}
+set atom 55 y 3.68194531960619
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6009229858571
+variable        y0 equal ${yi}
+variable        y0 equal 9.18416120517581
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x 10.694946010893
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 9.27294996488421
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1014   -2.9871562   -2.0462053   -2.0337976 
+    1015   -2.9871562   -2.0462053   -2.0335136 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 1 x ${x0}
+set atom 1 x 10.6009229858571
+  1 settings made for x
+set atom $i y ${y0}
+set atom 1 y ${y0}
+set atom 1 y 9.18416120517581
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 42
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.463221640983487
+variable        y0 equal ${yi}
+variable        y0 equal 4.61717816943094
+
+set             atom $i x ${xnew}
+set             atom 42 x ${xnew}
+set             atom 42 x 0.375024362007047
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 42 y ${ynew}
+set             atom 42 y 4.59845900887415
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1015   -2.9871562   -2.0462053   -2.0335136 
+    1016   -2.9871562   -2.0462053   -2.0157614 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 42 x ${x0}
+set atom 42 x 0.463221640983487
+  1 settings made for x
+set atom $i y ${y0}
+set atom 42 y ${y0}
+set atom 42 y 4.61717816943094
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.65425684650373
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.61223061436578
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1016   -2.9871562   -2.0462053   -2.0157614 
+    1017   -2.9871562   -2.0462053   -2.0275836 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 63
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.987933591205408
+variable        y0 equal ${yi}
+variable        y0 equal 5.5415678853293
+
+set             atom $i x ${xnew}
+set             atom 63 x ${xnew}
+set             atom 63 x 0.918518808681299
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 63 y ${ynew}
+set             atom 63 y 5.53309304659563
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1017   -2.9871562   -2.0462053   -2.0275836 
+    1018   -2.9871562   -2.0462053   -2.0249421 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 63 x ${x0}
+set atom 63 x 0.987933591205408
+  1 settings made for x
+set atom $i y ${y0}
+set atom 63 y ${y0}
+set atom 63 y 5.5415678853293
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.36779002665597
+variable        y0 equal ${yi}
+variable        y0 equal 0.0310999035835302
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.40156468867379
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y 0.00304889678955437
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1018   -2.9871562   -2.0462053   -2.0249421 
+    1019   -2.9871562   -2.0462053    -2.047132 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.04713204179555
+variable naccept equal ${increment}
+variable naccept equal 289
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.79055209358168
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.69179975146218
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1019   -2.9871562    -2.047132    -2.047132 
+    1020   -2.9871562    -2.047132   -2.0357332 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.83310471732608
+variable        y0 equal ${yi}
+variable        y0 equal 8.3484317771345
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.83711441714755
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.26126304782923
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1020   -2.9871562    -2.047132   -2.0357332 
+    1021   -2.9871562    -2.047132   -1.9942867 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 92 x ${x0}
+set atom 92 x 5.83310471732608
+  1 settings made for x
+set atom $i y ${y0}
+set atom 92 y ${y0}
+set atom 92 y 8.3484317771345
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 23
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.07676643450909
+variable        y0 equal ${yi}
+variable        y0 equal 1.85376013896531
+
+set             atom $i x ${xnew}
+set             atom 23 x ${xnew}
+set             atom 23 x 1.07343188841992
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 23 y ${ynew}
+set             atom 23 y 1.85961672446793
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1021   -2.9871562    -2.047132   -1.9942867 
+    1022   -2.9871562    -2.047132   -2.0478716 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.04787158397693
+variable naccept equal ${increment}
+variable naccept equal 290
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.15771750847207
+variable        y0 equal ${yi}
+variable        y0 equal 7.45649659958148
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.19986015001641
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.49672150936389
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1022   -2.9871562   -2.0478716   -2.0478716 
+    1023   -2.9871562   -2.0478716   -2.0376314 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.15771750847207
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.45649659958148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 67
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.31808795690099
+variable        y0 equal ${yi}
+variable        y0 equal 5.6091846699019
+
+set             atom $i x ${xnew}
+set             atom 67 x ${xnew}
+set             atom 67 x 3.21882955789129
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 67 y ${ynew}
+set             atom 67 y 5.57611442749696
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1023   -2.9871562   -2.0478716   -2.0376314 
+    1024   -2.9871562   -2.0478716   -2.0388421 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 67 x ${x0}
+set atom 67 x 3.31808795690099
+  1 settings made for x
+set atom $i y ${y0}
+set atom 67 y ${y0}
+set atom 67 y 5.6091846699019
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.609000296989348
+variable        y0 equal ${yi}
+variable        y0 equal 0.984621043908919
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.570630665222075
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.909747691858138
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1024   -2.9871562   -2.0478716   -2.0388421 
+    1025   -2.9871562   -2.0478716   -2.0572344 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.05723441696553
+variable naccept equal ${increment}
+variable naccept equal 291
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.89360781310894
+variable        y0 equal ${yi}
+variable        y0 equal 0.970815511453479
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 7.8691863238702
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 0.954155464876025
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1025   -2.9871562   -2.0572344   -2.0572344 
+    1026   -2.9871562   -2.0572344   -2.0505089 
+Loop time of 4.41074e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 16 x ${x0}
+set atom 16 x 7.89360781310894
+  1 settings made for x
+set atom $i y ${y0}
+set atom 16 y ${y0}
+set atom 16 y 0.970815511453479
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6911063273601
+variable        y0 equal ${yi}
+variable        y0 equal 5.45732250158982
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x 10.6307479341678
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.36707913820939
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1026   -2.9871562   -2.0572344   -2.0505089 
+    1027   -2.9871562   -2.0572344   -2.0198677 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 61 x ${x0}
+set atom 61 x 10.6911063273601
+  1 settings made for x
+set atom $i y ${y0}
+set atom 61 y ${y0}
+set atom 61 y 5.45732250158982
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.76206280509119
+variable        y0 equal ${yi}
+variable        y0 equal 4.61360334509775
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.68035457650309
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.62961436861917
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1027   -2.9871562   -2.0572344   -2.0198677 
+    1028   -2.9871562   -2.0572344   -2.0194242 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 48 x ${x0}
+set atom 48 x 3.76206280509119
+  1 settings made for x
+set atom $i y ${y0}
+set atom 48 y ${y0}
+set atom 48 y 4.61360334509775
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.0809653671568
+variable        y0 equal ${yi}
+variable        y0 equal 7.46382458534503
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.11815181096249
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.44427507248187
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1028   -2.9871562   -2.0572344   -2.0194242 
+    1029   -2.9871562   -2.0572344   -2.0574394 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.05743935608187
+variable naccept equal ${increment}
+variable naccept equal 292
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 68
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.79614609995967
+variable        y0 equal ${yi}
+variable        y0 equal 6.5482283546113
+
+set             atom $i x ${xnew}
+set             atom 68 x ${xnew}
+set             atom 68 x 3.80623258868343
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 68 y ${ynew}
+set             atom 68 y 6.50073292986383
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1029   -2.9871562   -2.0574394   -2.0574394 
+    1030   -2.9871562   -2.0574394     -2.05975 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.05975000669786
+variable naccept equal ${increment}
+variable naccept equal 293
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.85786454001552
+variable        y0 equal ${yi}
+variable        y0 equal 2.82388043376306
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.90687113324291
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.91485160561899
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1030   -2.9871562     -2.05975     -2.05975 
+    1031   -2.9871562     -2.05975   -1.9280184 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.85786454001552
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.82388043376306
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 33
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.40621244429666
+variable        y0 equal ${yi}
+variable        y0 equal 2.0462150373227
+
+set             atom $i x ${xnew}
+set             atom 33 x ${xnew}
+set             atom 33 x 6.4458763790043
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 33 y ${ynew}
+set             atom 33 y 2.00422748706406
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1031   -2.9871562     -2.05975   -1.9280184 
+    1032   -2.9871562     -2.05975    -2.060616 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.06061602406225
+variable naccept equal ${increment}
+variable naccept equal 294
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 78
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.16654193121941
+variable        y0 equal ${yi}
+variable        y0 equal 6.51635446087352
+
+set             atom $i x ${xnew}
+set             atom 78 x ${xnew}
+set             atom 78 x 9.20481869895012
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 78 y ${ynew}
+set             atom 78 y 6.59897087351314
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1032   -2.9871562    -2.060616    -2.060616 
+    1033   -2.9871562    -2.060616   -2.0318231 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 78 x ${x0}
+set atom 78 x 9.16654193121941
+  1 settings made for x
+set atom $i y ${y0}
+set atom 78 y ${y0}
+set atom 78 y 6.51635446087352
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.89080204048797
+variable        y0 equal ${yi}
+variable        y0 equal 0.962413962591011
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.84295815506622
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 0.897591026532967
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1033   -2.9871562    -2.060616   -2.0318231 
+    1034   -2.9871562    -2.060616   -2.0581496 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 14 x ${x0}
+set atom 14 x 6.89080204048797
+  1 settings made for x
+set atom $i y ${y0}
+set atom 14 y ${y0}
+set atom 14 y 0.962413962591011
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.11815181096249
+variable        y0 equal ${yi}
+variable        y0 equal 7.44427507248187
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.05003204663449
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.36549614992404
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1034   -2.9871562    -2.060616   -2.0581496 
+    1035   -2.9871562    -2.060616   -2.0246971 
+Loop time of 0.0402339 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.11815181096249
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.44427507248187
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.89360781310894
+variable        y0 equal ${yi}
+variable        y0 equal 0.970815511453479
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 7.94788476823666
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 0.961742587793201
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1035   -2.9871562    -2.060616   -2.0246971 
+    1036   -2.9871562    -2.060616    -2.059647 
+Loop time of 4.69685e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 16 x ${x0}
+set atom 16 x 7.89360781310894
+  1 settings made for x
+set atom $i y ${y0}
+set atom 16 y ${y0}
+set atom 16 y 0.970815511453479
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.64134974360247
+variable        y0 equal ${yi}
+variable        y0 equal 0.972303231466143
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.73805127024432
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 1.00847537111077
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1036   -2.9871562    -2.060616    -2.059647 
+    1037   -2.9871562    -2.060616   -2.0159369 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 4 x ${x0}
+set atom 4 x 1.64134974360247
+  1 settings made for x
+set atom $i y ${y0}
+set atom 4 y ${y0}
+set atom 4 y 0.972303231466143
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.9899615760564
+variable        y0 equal ${yi}
+variable        y0 equal 4.5907792245762
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 6.06147515733234
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.5139977371113
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1037   -2.9871562    -2.060616   -2.0159369 
+    1038   -2.9871562    -2.060616   -1.9831519 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 52 x ${x0}
+set atom 52 x 5.9899615760564
+  1 settings made for x
+set atom $i y ${y0}
+set atom 52 y ${y0}
+set atom 52 y 4.5907792245762
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 42
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.463221640983487
+variable        y0 equal ${yi}
+variable        y0 equal 4.61717816943094
+
+set             atom $i x ${xnew}
+set             atom 42 x ${xnew}
+set             atom 42 x 0.497564132610227
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 42 y ${ynew}
+set             atom 42 y 4.54773588532373
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1038   -2.9871562    -2.060616   -1.9831519 
+    1039   -2.9871562    -2.060616   -2.0577781 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 42 x ${x0}
+set atom 42 x 0.463221640983487
+  1 settings made for x
+set atom $i y ${y0}
+set atom 42 y ${y0}
+set atom 42 y 4.61717816943094
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.40103450218107
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y 0.00890159606933345
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1039   -2.9871562    -2.060616   -2.0577781 
+    1040   -2.9871562    -2.060616   -2.0571266 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.55546174207155
+variable        y0 equal ${yi}
+variable        y0 equal 5.67337435429292
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.59749107518617
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.74558139984804
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1040   -2.9871562    -2.060616   -2.0571266 
+    1041   -2.9871562    -2.060616   -2.0275684 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 77 x ${x0}
+set atom 77 x 8.55546174207155
+  1 settings made for x
+set atom $i y ${y0}
+set atom 77 y ${y0}
+set atom 77 y 5.67337435429292
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.11236243842937
+variable        y0 equal ${yi}
+variable        y0 equal 8.24853718198832
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.13868210910656
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.32543376602229
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1041   -2.9871562    -2.060616   -2.0275684 
+    1042   -2.9871562    -2.060616   -2.0346531 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.11236243842937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.24853718198832
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.64134974360247
+variable        y0 equal ${yi}
+variable        y0 equal 0.972303231466143
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.64773430704851
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 0.951317544687121
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1042   -2.9871562    -2.060616   -2.0346531 
+    1043   -2.9871562    -2.060616   -2.0600398 
+Loop time of 4.81606e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 4 x ${x0}
+set atom 4 x 1.64134974360247
+  1 settings made for x
+set atom $i y ${y0}
+set atom 4 y ${y0}
+set atom 4 y 0.972303231466143
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.92934083898059
+variable        y0 equal ${yi}
+variable        y0 equal 6.62002104059687
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 5.89192678887836
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.66022809282771
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1043   -2.9871562    -2.060616   -2.0600398 
+    1044   -2.9871562    -2.060616   -2.0415873 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 72 x ${x0}
+set atom 72 x 5.92934083898059
+  1 settings made for x
+set atom $i y ${y0}
+set atom 72 y ${y0}
+set atom 72 y 6.62002104059687
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 62
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.69972850839224
+variable        y0 equal ${yi}
+variable        y0 equal 6.49726980463495
+
+set             atom $i x ${xnew}
+set             atom 62 x ${xnew}
+set             atom 62 x 0.632409425178434
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 62 y ${ynew}
+set             atom 62 y 6.5492800547265
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1044   -2.9871562    -2.060616   -2.0415873 
+    1045   -2.9871562    -2.060616    -2.058479 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 62 x ${x0}
+set atom 62 x 0.69972850839224
+  1 settings made for x
+set atom $i y ${y0}
+set atom 62 y ${y0}
+set atom 62 y 6.49726980463495
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 30
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.8951647126609
+variable        y0 equal ${yi}
+variable        y0 equal 2.85868977280953
+
+set             atom $i x ${xnew}
+set             atom 30 x ${xnew}
+set             atom 30 x 4.91249088882743
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 30 y ${ynew}
+set             atom 30 y 2.79413495036461
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1045   -2.9871562    -2.060616    -2.058479 
+    1046   -2.9871562    -2.060616   -2.0462093 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 30 x ${x0}
+set atom 30 x 4.8951647126609
+  1 settings made for x
+set atom $i y ${y0}
+set atom 30 y ${y0}
+set atom 30 y 2.85868977280953
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 97
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.64328949609225
+variable        y0 equal ${yi}
+variable        y0 equal 7.40728055563236
+
+set             atom $i x ${xnew}
+set             atom 97 x ${xnew}
+set             atom 97 x 8.56881023803179
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 97 y ${ynew}
+set             atom 97 y 7.40570235576893
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1046   -2.9871562    -2.060616   -2.0462093 
+    1047   -2.9871562    -2.060616    -2.034963 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 97 x ${x0}
+set atom 97 x 8.64328949609225
+  1 settings made for x
+set atom $i y ${y0}
+set atom 97 y ${y0}
+set atom 97 y 7.40728055563236
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 79
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.71175088165876
+variable        y0 equal ${yi}
+variable        y0 equal 5.71374509279924
+
+set             atom $i x ${xnew}
+set             atom 79 x ${xnew}
+set             atom 79 x 9.6211267638075
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 79 y ${ynew}
+set             atom 79 y 5.72023855393129
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1047   -2.9871562    -2.060616    -2.034963 
+    1048   -2.9871562    -2.060616   -2.0344003 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 79 x ${x0}
+set atom 79 x 9.71175088165876
+  1 settings made for x
+set atom $i y ${y0}
+set atom 79 y ${y0}
+set atom 79 y 5.71374509279924
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 93
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.37491369961817
+variable        y0 equal ${yi}
+variable        y0 equal 7.49044490185045
+
+set             atom $i x ${xnew}
+set             atom 93 x ${xnew}
+set             atom 93 x 6.28340316533167
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 93 y ${ynew}
+set             atom 93 y 7.56771014061235
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1048   -2.9871562    -2.060616   -2.0344003 
+    1049   -2.9871562    -2.060616   -1.9856256 
+Loop time of 4.31538e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 93 x ${x0}
+set atom 93 x 6.37491369961817
+  1 settings made for x
+set atom $i y ${y0}
+set atom 93 y ${y0}
+set atom 93 y 7.49044490185045
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 33
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.4458763790043
+variable        y0 equal ${yi}
+variable        y0 equal 2.00422748706406
+
+set             atom $i x ${xnew}
+set             atom 33 x ${xnew}
+set             atom 33 x 6.35099447487909
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 33 y ${ynew}
+set             atom 33 y 1.92307773015564
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1049   -2.9871562    -2.060616   -1.9856256 
+    1050   -2.9871562    -2.060616   -2.1066346 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.10663455577807
+variable naccept equal ${increment}
+variable naccept equal 295
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 12
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.81250222880832
+variable        y0 equal ${yi}
+variable        y0 equal 0.959874435174792
+
+set             atom $i x ${xnew}
+set             atom 12 x ${xnew}
+set             atom 12 x 5.89968223531238
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 12 y ${ynew}
+set             atom 12 y 0.886041899431079
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1050   -2.9871562   -2.1066346   -2.1066346 
+    1051   -2.9871562   -2.1066346   -2.1148382 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.11483818501849
+variable naccept equal ${increment}
+variable naccept equal 296
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.40156468867379
+variable        y0 equal ${yi}
+variable        y0 equal 0.00304889678955437
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.31255937336999
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y -0.0687830567359888
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1051   -2.9871562   -2.1148382   -2.1148382 
+    1052   -2.9871562   -2.1148382   -2.1028406 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 13 x ${x0}
+set atom 13 x 6.40156468867379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 13 y ${y0}
+set atom 13 y 0.00304889678955437
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 81
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0322040319442937
+variable        y0 equal ${yi}
+variable        y0 equal 7.38692112293505
+
+set             atom $i x ${xnew}
+set             atom 81 x ${xnew}
+set             atom 81 x -0.0662989377975276
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 81 y ${ynew}
+set             atom 81 y 7.45963280525469
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1052   -2.9871562   -2.1148382   -2.1028406 
+    1053   -2.9871562   -2.1148382   -2.0199061 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 81 x ${x0}
+set atom 81 x 0.0322040319442937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 81 y ${y0}
+set atom 81 y 7.38692112293505
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31064851680662
+variable        y0 equal ${yi}
+variable        y0 equal 1.91864991567201
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.26392925182249
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 1.98057111880845
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1053   -2.9871562   -2.1148382   -2.0199061 
+    1054   -2.9871562   -2.1148382    -2.072926 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 31 x ${x0}
+set atom 31 x 5.31064851680662
+  1 settings made for x
+set atom $i y ${y0}
+set atom 31 y ${y0}
+set atom 31 y 1.91864991567201
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.07315314093276
+variable        y0 equal ${yi}
+variable        y0 equal 4.61574550026819
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 7.1071884182994
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.55617969387933
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1054   -2.9871562   -2.1148382    -2.072926 
+    1055   -2.9871562   -2.1148382   -2.0899574 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.07315314093276
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.61574550026819
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.87741336464225
+variable        y0 equal ${yi}
+variable        y0 equal 6.4556893421792
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.82771694301902
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.49169163242807
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1055   -2.9871562   -2.1148382   -2.0899574 
+    1056   -2.9871562   -2.1148382     -2.10587 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 4.87741336464225
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.4556893421792
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.18878640571939
+variable        y0 equal ${yi}
+variable        y0 equal 5.5354710811873
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.28666220346796
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.46728776638704
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1056   -2.9871562   -2.1148382     -2.10587 
+    1057   -2.9871562   -2.1148382    -2.054627 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 65 x ${x0}
+set atom 65 x 2.18878640571939
+  1 settings made for x
+set atom $i y ${y0}
+set atom 65 y ${y0}
+set atom 65 y 5.5354710811873
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.15771750847207
+variable        y0 equal ${yi}
+variable        y0 equal 7.45649659958148
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.19276054540978
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.47491184797549
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1057   -2.9871562   -2.1148382    -2.054627 
+    1058   -2.9871562   -2.1148382   -2.1110704 
+Loop time of 5.48363e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.15771750847207
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.45649659958148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 26
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.66067210634184
+variable        y0 equal ${yi}
+variable        y0 equal 2.84075683328011
+
+set             atom $i x ${xnew}
+set             atom 26 x ${xnew}
+set             atom 26 x 2.67167732913923
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 26 y ${ynew}
+set             atom 26 y 2.85737189027169
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1058   -2.9871562   -2.1148382   -2.1110704 
+    1059   -2.9871562   -2.1148382   -2.1173529 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.11735293311028
+variable naccept equal ${increment}
+variable naccept equal 297
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.85786454001552
+variable        y0 equal ${yi}
+variable        y0 equal 2.82388043376306
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.93199559966213
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.77928504916528
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1059   -2.9871562   -2.1173529   -2.1173529 
+    1060   -2.9871562   -2.1173529   -2.0911543 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.85786454001552
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.82388043376306
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 23
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.07343188841992
+variable        y0 equal ${yi}
+variable        y0 equal 1.85961672446793
+
+set             atom $i x ${xnew}
+set             atom 23 x ${xnew}
+set             atom 23 x 1.04189253171139
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 23 y ${ynew}
+set             atom 23 y 1.91451200625962
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1060   -2.9871562   -2.1173529   -2.0911543 
+    1061   -2.9871562   -2.1173529   -2.1037211 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 23 x ${x0}
+set atom 23 x 1.07343188841992
+  1 settings made for x
+set atom $i y ${y0}
+set atom 23 y ${y0}
+set atom 23 y 1.85961672446793
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0538676500320435
+variable        y0 equal ${yi}
+variable        y0 equal 1.89676245830125
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x 0.0669886708259583
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 1.86074338338441
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1061   -2.9871562   -2.1173529   -2.1037211 
+    1062   -2.9871562   -2.1173529   -2.1180935 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.11809351969209
+variable naccept equal ${increment}
+variable naccept equal 298
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 62
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.69972850839224
+variable        y0 equal ${yi}
+variable        y0 equal 6.49726980463495
+
+set             atom $i x ${xnew}
+set             atom 62 x ${xnew}
+set             atom 62 x 0.713499279418851
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 62 y ${ynew}
+set             atom 62 y 6.50074466005792
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1062   -2.9871562   -2.1180935   -2.1180935 
+    1063   -2.9871562   -2.1180935   -2.1136587 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 62 x ${x0}
+set atom 62 x 0.69972850839224
+  1 settings made for x
+set atom $i y ${y0}
+set atom 62 y ${y0}
+set atom 62 y 6.49726980463495
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.44781843502732
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.51419964974124
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1063   -2.9871562   -2.1180935   -2.1136587 
+    1064   -2.9871562   -2.1180935   -2.1073313 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1789412740728
+variable        y0 equal ${yi}
+variable        y0 equal 2.78276804658273
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.2670327548048
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.68955758782724
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1064   -2.9871562   -2.1180935   -2.1073313 
+    1065   -2.9871562   -2.1180935   -2.1085948 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.1789412740728
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.78276804658273
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.11815181096249
+variable        y0 equal ${yi}
+variable        y0 equal 7.44427507248187
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.20560403187924
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.52915455427432
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1065   -2.9871562   -2.1180935   -2.1085948 
+    1066   -2.9871562   -2.1180935   -2.0675174 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.11815181096249
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.44427507248187
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 98
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.16308992821724
+variable        y0 equal ${yi}
+variable        y0 equal 8.28462620891627
+
+set             atom $i x ${xnew}
+set             atom 98 x ${xnew}
+set             atom 98 x 9.16770966965706
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 98 y ${ynew}
+set             atom 98 y 8.35893106378611
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1066   -2.9871562   -2.1180935   -2.0675174 
+    1067   -2.9871562   -2.1180935   -2.1150662 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 98 x ${x0}
+set atom 98 x 9.16308992821724
+  1 settings made for x
+set atom $i y ${y0}
+set atom 98 y ${y0}
+set atom 98 y 8.28462620891627
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.49823891638834
+variable        y0 equal ${yi}
+variable        y0 equal 3.73309955163132
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.48537821292002
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.77371596856247
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1067   -2.9871562   -2.1180935   -2.1150662 
+    1068   -2.9871562   -2.1180935   -2.1070197 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 53 x ${x0}
+set atom 53 x 6.49823891638834
+  1 settings made for x
+set atom $i y ${y0}
+set atom 53 y ${y0}
+set atom 53 y 3.73309955163132
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.87741336464225
+variable        y0 equal ${yi}
+variable        y0 equal 6.4556893421792
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.94320748686134
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.42626939550867
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1068   -2.9871562   -2.1180935   -2.1070197 
+    1069   -2.9871562   -2.1180935   -2.1056769 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 4.87741336464225
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.4556893421792
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 100
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1610254410764
+variable        y0 equal ${yi}
+variable        y0 equal 8.2609955064207
+
+set             atom $i x ${xnew}
+set             atom 100 x ${xnew}
+set             atom 100 x 10.1109179023763
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 100 y ${ynew}
+set             atom 100 y 8.1708987227827
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1069   -2.9871562   -2.1180935   -2.1056769 
+    1070   -2.9871562   -2.1180935   -2.0527492 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 100 x ${x0}
+set atom 100 x 10.1610254410764
+  1 settings made for x
+set atom $i y ${y0}
+set atom 100 y ${y0}
+set atom 100 y 8.2609955064207
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.50235789218808
+variable        y0 equal ${yi}
+variable        y0 equal 3.73372400565278
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.42904138961697
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.82054955525529
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1070   -2.9871562   -2.1180935   -2.0527492 
+    1071   -2.9871562   -2.1180935   -1.9156591 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 51 x ${x0}
+set atom 51 x 5.50235789218808
+  1 settings made for x
+set atom $i y ${y0}
+set atom 51 y ${y0}
+set atom 51 y 3.73372400565278
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.75404643018675
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.77387196177407
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1071   -2.9871562   -2.1180935   -1.9156591 
+    1072   -2.9871562   -2.1180935   -2.0878248 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 33
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.35099447487909
+variable        y0 equal ${yi}
+variable        y0 equal 1.92307773015564
+
+set             atom $i x ${xnew}
+set             atom 33 x ${xnew}
+set             atom 33 x 6.35121900557596
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 33 y ${ynew}
+set             atom 33 y 1.95760535380905
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1072   -2.9871562   -2.1180935   -2.0878248 
+    1073   -2.9871562   -2.1180935   -2.1127167 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 33 x ${x0}
+set atom 33 x 6.35099447487909
+  1 settings made for x
+set atom $i y ${y0}
+set atom 33 y ${y0}
+set atom 33 y 1.92307773015564
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6911063273601
+variable        y0 equal ${yi}
+variable        y0 equal 5.45732250158982
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x 10.5994230945758
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.45658954327302
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1073   -2.9871562   -2.1180935   -2.1127167 
+    1074   -2.9871562   -2.1180935   -2.0802882 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 61 x ${x0}
+set atom 61 x 10.6911063273601
+  1 settings made for x
+set atom $i y ${y0}
+set atom 61 y ${y0}
+set atom 61 y 5.45732250158982
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 56
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.10189970134594
+variable        y0 equal ${yi}
+variable        y0 equal 4.6733581578152
+
+set             atom $i x ${xnew}
+set             atom 56 x ${xnew}
+set             atom 56 x 8.02237313388683
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 56 y ${ynew}
+set             atom 56 y 4.71707281226085
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1074   -2.9871562   -2.1180935   -2.0802882 
+    1075   -2.9871562   -2.1180935   -2.1033257 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 56 x ${x0}
+set atom 56 x 8.10189970134594
+  1 settings made for x
+set atom $i y ${y0}
+set atom 56 y ${y0}
+set atom 56 y 4.6733581578152
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.07315314093276
+variable        y0 equal ${yi}
+variable        y0 equal 4.61574550026819
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 7.17234739342376
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.66297647112772
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1075   -2.9871562   -2.1180935   -2.1033257 
+    1076   -2.9871562   -2.1180935   -2.0786132 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.07315314093276
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.61574550026819
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.54351456640837
+variable        y0 equal ${yi}
+variable        y0 equal 3.68936000628603
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.61404219149229
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.61597636504305
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1076   -2.9871562   -2.1180935   -2.0786132 
+    1077   -2.9871562   -2.1180935   -2.1039894 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 59 x ${x0}
+set atom 59 x 9.54351456640837
+  1 settings made for x
+set atom $i y ${y0}
+set atom 59 y ${y0}
+set atom 59 y 3.68936000628603
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.43885856071379
+variable        y0 equal ${yi}
+variable        y0 equal 5.558475553443
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.35921405950453
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.52873084490494
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1077   -2.9871562   -2.1180935   -2.1039894 
+    1078   -2.9871562   -2.1180935   -2.1151737 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 71 x ${x0}
+set atom 71 x 5.43885856071379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 71 y ${y0}
+set atom 71 y 5.558475553443
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.40156468867379
+variable        y0 equal ${yi}
+variable        y0 equal 0.00304889678955437
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.37437296628075
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y -0.0890555143356287
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1078   -2.9871562   -2.1180935   -2.1151737 
+    1079   -2.9871562   -2.1180935   -2.1152033 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 13 x ${x0}
+set atom 13 x 6.40156468867379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 13 y ${y0}
+set atom 13 y 0.00304889678955437
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 7
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.22492432355444
+variable        y0 equal ${yi}
+variable        y0 equal 0.0240613460540867
+
+set             atom $i x ${xnew}
+set             atom 7 x ${xnew}
+set             atom 7 x 3.25209930896322
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 7 y ${ynew}
+set             atom 7 y -0.0460000395774746
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1079   -2.9871562   -2.1180935   -2.1152033 
+    1080   -2.9871562   -2.1180935   -2.1109828 
+Loop time of 4.79221e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 7 x ${x0}
+set atom 7 x 3.22492432355444
+  1 settings made for x
+set atom $i y ${y0}
+set atom 7 y ${y0}
+set atom 7 y 0.0240613460540867
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.16921079794274
+variable        y0 equal ${yi}
+variable        y0 equal 1.86157575032777
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.08207823673592
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.87026369950837
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1080   -2.9871562   -2.1180935   -2.1109828 
+    1081   -2.9871562   -2.1180935   -2.1079835 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.16921079794274
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.86157575032777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.51275517780553
+variable        y0 equal ${yi}
+variable        y0 equal 3.68194531960619
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.43112865526448
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.68723789019716
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1081   -2.9871562   -2.1180935   -2.1079835 
+    1082   -2.9871562   -2.1180935   -2.0650556 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 55 x ${x0}
+set atom 55 x 7.51275517780553
+  1 settings made for x
+set atom $i y ${y0}
+set atom 55 y ${y0}
+set atom 55 y 3.68194531960619
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.55546174207155
+variable        y0 equal ${yi}
+variable        y0 equal 5.67337435429292
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.53405225434725
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.59134830181794
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1082   -2.9871562   -2.1180935   -2.0650556 
+    1083   -2.9871562   -2.1180935   -2.1014894 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 77 x ${x0}
+set atom 77 x 8.55546174207155
+  1 settings made for x
+set atom $i y ${y0}
+set atom 77 y ${y0}
+set atom 77 y 5.67337435429292
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 39
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.48253180264112
+variable        y0 equal ${yi}
+variable        y0 equal 1.83061694285935
+
+set             atom $i x ${xnew}
+set             atom 39 x ${xnew}
+set             atom 39 x 9.42826701878187
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 39 y ${ynew}
+set             atom 39 y 1.91359651467866
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1083   -2.9871562   -2.1180935   -2.1014894 
+    1084   -2.9871562   -2.1180935   -2.0289456 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 39 x ${x0}
+set atom 39 x 9.48253180264112
+  1 settings made for x
+set atom $i y ${y0}
+set atom 39 y ${y0}
+set atom 39 y 1.83061694285935
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.30100279251004
+variable        y0 equal ${yi}
+variable        y0 equal 7.47468527879977
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.22453016439343
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.5425423058536
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1084   -2.9871562   -2.1180935   -2.0289456 
+    1085   -2.9871562   -2.1180935   -1.9336294 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 91 x ${x0}
+set atom 91 x 5.30100279251004
+  1 settings made for x
+set atom $i y ${y0}
+set atom 91 y ${y0}
+set atom 91 y 7.47468527879977
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 38
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.17293971497565
+variable        y0 equal ${yi}
+variable        y0 equal 2.77695646258691
+
+set             atom $i x ${xnew}
+set             atom 38 x ${xnew}
+set             atom 38 x 9.09958864171057
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 38 y ${ynew}
+set             atom 38 y 2.75573046180108
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1085   -2.9871562   -2.1180935   -1.9336294 
+    1086   -2.9871562   -2.1180935   -2.1361124 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.13611243250496
+variable naccept equal ${increment}
+variable naccept equal 299
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 97
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.64328949609225
+variable        y0 equal ${yi}
+variable        y0 equal 7.40728055563236
+
+set             atom $i x ${xnew}
+set             atom 97 x ${xnew}
+set             atom 97 x 8.56648336806719
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 97 y ${ynew}
+set             atom 97 y 7.3369070562389
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1086   -2.9871562   -2.1361124   -2.1361124 
+    1087   -2.9871562   -2.1361124   -2.0594079 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 97 x ${x0}
+set atom 97 x 8.64328949609225
+  1 settings made for x
+set atom $i y ${y0}
+set atom 97 y ${y0}
+set atom 97 y 7.40728055563236
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.00726719538078
+variable        y0 equal ${yi}
+variable        y0 equal 0.00341384410857337
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 2.06985479036674
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y -0.076136350631722
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1087   -2.9871562   -2.1361124   -2.0594079 
+    1088   -2.9871562   -2.1361124   -2.1242588 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 5 x ${x0}
+set atom 5 x 2.00726719538078
+  1 settings made for x
+set atom $i y ${y0}
+set atom 5 y ${y0}
+set atom 5 y 0.00341384410857337
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.34778394777985
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.51884498541552
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1088   -2.9871562   -2.1361124   -2.1242588 
+    1089   -2.9871562   -2.1361124   -2.1352744 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.92934083898059
+variable        y0 equal ${yi}
+variable        y0 equal 6.62002104059687
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 5.90265085656634
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.60202899710169
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1089   -2.9871562   -2.1361124   -2.1352744 
+    1090   -2.9871562   -2.1361124   -2.1415283 
+Loop time of 4.60148e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.14152825389278
+variable naccept equal ${increment}
+variable naccept equal 300
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59001860499163
+variable        y0 equal ${yi}
+variable        y0 equal 4.68076303357049
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.57886640906115
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.77649509066506
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1090   -2.9871562   -2.1415283   -2.1415283 
+    1091   -2.9871562   -2.1415283   -2.1123392 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 44 x ${x0}
+set atom 44 x 1.59001860499163
+  1 settings made for x
+set atom $i y ${y0}
+set atom 44 y ${y0}
+set atom 44 y 4.68076303357049
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.51275517780553
+variable        y0 equal ${yi}
+variable        y0 equal 3.68194531960619
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.54333351690541
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.62732655568255
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1091   -2.9871562   -2.1415283   -2.1123392 
+    1092   -2.9871562   -2.1415283   -2.1333794 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 55 x ${x0}
+set atom 55 x 7.51275517780553
+  1 settings made for x
+set atom $i y ${y0}
+set atom 55 y ${y0}
+set atom 55 y 3.68194531960619
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.19388546387063
+variable        y0 equal ${yi}
+variable        y0 equal 3.77270575328004
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.19075627962457
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.74138499064576
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1092   -2.9871562   -2.1415283   -2.1333794 
+    1093   -2.9871562   -2.1415283   -2.1363004 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 45 x ${x0}
+set atom 45 x 2.19388546387063
+  1 settings made for x
+set atom $i y ${y0}
+set atom 45 y ${y0}
+set atom 45 y 3.77270575328004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 78
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.16654193121941
+variable        y0 equal ${yi}
+variable        y0 equal 6.51635446087352
+
+set             atom $i x ${xnew}
+set             atom 78 x ${xnew}
+set             atom 78 x 9.07348546702416
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 78 y ${ynew}
+set             atom 78 y 6.60193919674388
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1093   -2.9871562   -2.1415283   -2.1363004 
+    1094   -2.9871562   -2.1415283   -2.0760729 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 78 x ${x0}
+set atom 78 x 9.16654193121941
+  1 settings made for x
+set atom $i y ${y0}
+set atom 78 y ${y0}
+set atom 78 y 6.51635446087352
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6009229858571
+variable        y0 equal ${yi}
+variable        y0 equal 9.18416120517581
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x 10.5012592871839
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 9.20085385549396
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1094   -2.9871562   -2.1415283   -2.0760729 
+    1095   -2.9871562   -2.1415283   -2.1310712 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 1 x ${x0}
+set atom 1 x 10.6009229858571
+  1 settings made for x
+set atom $i y ${y0}
+set atom 1 y ${y0}
+set atom 1 y 9.18416120517581
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.43885856071379
+variable        y0 equal ${yi}
+variable        y0 equal 5.558475553443
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.49586050907042
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.58052233402924
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1095   -2.9871562   -2.1415283   -2.1310712 
+    1096   -2.9871562   -2.1415283   -2.1173465 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 71 x ${x0}
+set atom 71 x 5.43885856071379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 71 y ${y0}
+set atom 71 y 5.558475553443
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6009229858571
+variable        y0 equal ${yi}
+variable        y0 equal 9.18416120517581
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x 10.6549111087972
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 9.08942075479358
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1096   -2.9871562   -2.1415283   -2.1173465 
+    1097   -2.9871562   -2.1415283   -2.0830982 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 1 x ${x0}
+set atom 1 x 10.6009229858571
+  1 settings made for x
+set atom $i y ${y0}
+set atom 1 y ${y0}
+set atom 1 y 9.18416120517581
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 41
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0739950656890791
+variable        y0 equal ${yi}
+variable        y0 equal 3.67012049718035
+
+set             atom $i x ${xnew}
+set             atom 41 x ${xnew}
+set             atom 41 x 0.144437539577476
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 41 y ${ynew}
+set             atom 41 y 3.58735159201754
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1097   -2.9871562   -2.1415283   -2.0830982 
+    1098   -2.9871562   -2.1415283   -2.0772211 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 41 x ${x0}
+set atom 41 x 0.0739950656890791
+  1 settings made for x
+set atom $i y ${y0}
+set atom 41 y ${y0}
+set atom 41 y 3.67012049718035
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.11815181096249
+variable        y0 equal ${yi}
+variable        y0 equal 7.44427507248187
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.15947900136166
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.43768918838763
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1098   -2.9871562   -2.1415283   -2.0772211 
+    1099   -2.9871562   -2.1415283    -2.135229 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.11815181096249
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.44427507248187
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 95
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.50331240732442
+variable        y0 equal ${yi}
+variable        y0 equal 7.44483136263156
+
+set             atom $i x ${xnew}
+set             atom 95 x ${xnew}
+set             atom 95 x 7.53213668901692
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 95 y ${ynew}
+set             atom 95 y 7.37864765253329
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1099   -2.9871562   -2.1415283    -2.135229 
+    1100   -2.9871562   -2.1415283   -2.1225954 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 95 x ${x0}
+set atom 95 x 7.50331240732442
+  1 settings made for x
+set atom $i y ${y0}
+set atom 95 y ${y0}
+set atom 95 y 7.44483136263156
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.83310471732608
+variable        y0 equal ${yi}
+variable        y0 equal 8.3484317771345
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.85007053573123
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.28624830164012
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1100   -2.9871562   -2.1415283   -2.1225954 
+    1101   -2.9871562   -2.1415283   -2.1112938 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 92 x ${x0}
+set atom 92 x 5.83310471732608
+  1 settings made for x
+set atom $i y ${y0}
+set atom 92 y ${y0}
+set atom 92 y 8.3484317771345
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 12
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.89968223531238
+variable        y0 equal ${yi}
+variable        y0 equal 0.886041899431079
+
+set             atom $i x ${xnew}
+set             atom 12 x ${xnew}
+set             atom 12 x 5.89517073590747
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 12 y ${ynew}
+set             atom 12 y 0.848996980893939
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1101   -2.9871562   -2.1415283   -2.1112938 
+    1102   -2.9871562   -2.1415283   -2.1318928 
+Loop time of 0.0407672 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 12 x ${x0}
+set atom 12 x 5.89968223531238
+  1 settings made for x
+set atom $i y ${y0}
+set atom 12 y ${y0}
+set atom 12 y 0.886041899431079
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.51275517780553
+variable        y0 equal ${yi}
+variable        y0 equal 3.68194531960619
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.47090582687627
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.74330347342623
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1102   -2.9871562   -2.1415283   -2.1318928 
+    1103   -2.9871562   -2.1415283   -2.1184746 
+Loop time of 4.60148e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 55 x ${x0}
+set atom 55 x 7.51275517780553
+  1 settings made for x
+set atom $i y ${y0}
+set atom 55 y ${y0}
+set atom 55 y 3.68194531960619
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.64134974360247
+variable        y0 equal ${yi}
+variable        y0 equal 0.972303231466143
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.5633272278287
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 0.874827190149157
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1103   -2.9871562   -2.1415283   -2.1184746 
+    1104   -2.9871562   -2.1415283   -2.1286056 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 4 x ${x0}
+set atom 4 x 1.64134974360247
+  1 settings made for x
+set atom $i y ${y0}
+set atom 4 y ${y0}
+set atom 4 y 0.972303231466143
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.69106418092681
+variable        y0 equal ${yi}
+variable        y0 equal 0.920749815214004
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.7385457416339
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 0.980258615720596
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1104   -2.9871562   -2.1415283   -2.1286056 
+    1105   -2.9871562   -2.1415283   -2.1319467 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 6 x ${x0}
+set atom 6 x 2.69106418092681
+  1 settings made for x
+set atom $i y ${y0}
+set atom 6 y ${y0}
+set atom 6 y 0.920749815214004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 19
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.4949854779112
+variable        y0 equal ${yi}
+variable        y0 equal 0.0935324668884274
+
+set             atom $i x ${xnew}
+set             atom 19 x ${xnew}
+set             atom 19 x 9.50610465286848
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 19 y ${ynew}
+set             atom 19 y 0.118172180652618
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1105   -2.9871562   -2.1415283   -2.1319467 
+    1106   -2.9871562   -2.1415283   -2.1413445 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 19 x ${x0}
+set atom 19 x 9.4949854779112
+  1 settings made for x
+set atom $i y ${y0}
+set atom 19 y ${y0}
+set atom 19 y 0.0935324668884274
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.83310471732608
+variable        y0 equal ${yi}
+variable        y0 equal 8.3484317771345
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.9232274051427
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.40573080696162
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1106   -2.9871562   -2.1415283   -2.1413445 
+    1107   -2.9871562   -2.1415283   -2.1444334 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.14443340757643
+variable naccept equal ${increment}
+variable naccept equal 301
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.81377544601393
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.62144785279199
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1107   -2.9871562   -2.1444334   -2.1444334 
+    1108   -2.9871562   -2.1444334   -2.1107033 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0669886708259583
+variable        y0 equal ${yi}
+variable        y0 equal 1.86074338338441
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x 0.161515748500824
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 1.93975150964326
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1108   -2.9871562   -2.1444334   -2.1107033 
+    1109   -2.9871562   -2.1444334   -2.0447319 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 21 x ${x0}
+set atom 21 x 0.0669886708259583
+  1 settings made for x
+set atom $i y ${y0}
+set atom 21 y ${y0}
+set atom 21 y 1.86074338338441
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.49823891638834
+variable        y0 equal ${yi}
+variable        y0 equal 3.73309955163132
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.58433413027842
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.72119978232514
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1109   -2.9871562   -2.1444334   -2.0447319 
+    1110   -2.9871562   -2.1444334   -2.1030167 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 53 x ${x0}
+set atom 53 x 6.49823891638834
+  1 settings made for x
+set atom $i y ${y0}
+set atom 53 y ${y0}
+set atom 53 y 3.73309955163132
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.87741336464225
+variable        y0 equal ${yi}
+variable        y0 equal 6.4556893421792
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.85989640592872
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.43531500832071
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1110   -2.9871562   -2.1444334   -2.1030167 
+    1111   -2.9871562   -2.1444334   -2.1430243 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 4.87741336464225
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.4556893421792
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.55546174207155
+variable        y0 equal ${yi}
+variable        y0 equal 5.67337435429292
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.587389387278
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.70525729601579
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1111   -2.9871562   -2.1444334   -2.1430243 
+    1112   -2.9871562   -2.1444334    -2.136948 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 77 x ${x0}
+set atom 77 x 8.55546174207155
+  1 settings made for x
+set atom $i y ${y0}
+set atom 77 y ${y0}
+set atom 77 y 5.67337435429292
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 9
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.31488733370514
+variable        y0 equal ${yi}
+variable        y0 equal 0.0164698362350535
+
+set             atom $i x ${xnew}
+set             atom 9 x ${xnew}
+set             atom 9 x 4.35531896431656
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 9 y ${ynew}
+set             atom 9 y -0.0153877139091421
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1112   -2.9871562   -2.1444334    -2.136948 
+    1113   -2.9871562   -2.1444334   -2.1281465 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 9 x ${x0}
+set atom 9 x 4.31488733370514
+  1 settings made for x
+set atom $i y ${y0}
+set atom 9 y ${y0}
+set atom 9 y 0.0164698362350535
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.43885856071379
+variable        y0 equal ${yi}
+variable        y0 equal 5.558475553443
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.39688163200285
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.55267873947816
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1113   -2.9871562   -2.1444334   -2.1281465 
+    1114   -2.9871562   -2.1444334   -2.1470643 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.14706431793954
+variable naccept equal ${increment}
+variable naccept equal 302
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.68808116793414
+variable        y0 equal ${yi}
+variable        y0 equal 6.45315314070217
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.72319588541766
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.35422031418316
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1114   -2.9871562   -2.1470643   -2.1470643 
+    1115   -2.9871562   -2.1470643   -2.1205401 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.68808116793414
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.45315314070217
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.4157506708166
+variable        y0 equal ${yi}
+variable        y0 equal 6.43439372316829
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.505614650633
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.51881291405193
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1115   -2.9871562   -2.1470643   -2.1205401 
+    1116   -2.9871562   -2.1470643   -2.0704758 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 80 x ${x0}
+set atom 80 x 10.4157506708166
+  1 settings made for x
+set atom $i y ${y0}
+set atom 80 y ${y0}
+set atom 80 y 6.43439372316829
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.54407576480333
+variable        y0 equal ${yi}
+variable        y0 equal 3.66106940074097
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.46830983319704
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.71250977082383
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1116   -2.9871562   -2.1470643   -2.0704758 
+    1117   -2.9871562   -2.1470643   -2.1316474 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 57 x ${x0}
+set atom 57 x 8.54407576480333
+  1 settings made for x
+set atom $i y ${y0}
+set atom 57 y ${y0}
+set atom 57 y 3.66106940074097
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.51275517780553
+variable        y0 equal ${yi}
+variable        y0 equal 3.68194531960619
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.56329734165441
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.72885418696535
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1117   -2.9871562   -2.1470643   -2.1316474 
+    1118   -2.9871562   -2.1470643   -2.1492353 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.14923529552031
+variable naccept equal ${increment}
+variable naccept equal 303
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 17
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.55511315026705
+variable        y0 equal ${yi}
+variable        y0 equal 9.1494782041344
+
+set             atom $i x ${xnew}
+set             atom 17 x ${xnew}
+set             atom 17 x 8.52910037198489
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 17 y ${ynew}
+set             atom 17 y 9.11551784980625
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1118   -2.9871562   -2.1492353   -2.1492353 
+    1119   -2.9871562   -2.1492353   -2.1433838 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 17 x ${x0}
+set atom 17 x 8.55511315026705
+  1 settings made for x
+set atom $i y ${y0}
+set atom 17 y ${y0}
+set atom 17 y 9.1494782041344
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 74
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.09398345032379
+variable        y0 equal ${yi}
+variable        y0 equal 6.52802731529703
+
+set             atom $i x ${xnew}
+set             atom 74 x ${xnew}
+set             atom 74 x 7.03482454100296
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 74 y ${ynew}
+set             atom 74 y 6.62182900444498
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1119   -2.9871562   -2.1492353   -2.1433838 
+    1120   -2.9871562   -2.1492353   -2.1470492 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 74 x ${x0}
+set atom 74 x 7.09398345032379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 74 y ${y0}
+set atom 74 y 6.52802731529703
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6009229858571
+variable        y0 equal ${yi}
+variable        y0 equal 9.18416120517581
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x 10.6111590226346
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 9.22944378364413
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1120   -2.9871562   -2.1492353   -2.1470492 
+    1121   -2.9871562   -2.1492353   -2.1522176 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.15221758842999
+variable naccept equal ${increment}
+variable naccept equal 304
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 98
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.16308992821724
+variable        y0 equal ${yi}
+variable        y0 equal 8.28462620891627
+
+set             atom $i x ${xnew}
+set             atom 98 x ${xnew}
+set             atom 98 x 9.08304459769279
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 98 y ${ynew}
+set             atom 98 y 8.3205754152685
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1121   -2.9871562   -2.1522176   -2.1522176 
+    1122   -2.9871562   -2.1522176   -2.1303556 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 98 x ${x0}
+set atom 98 x 9.16308992821724
+  1 settings made for x
+set atom $i y ${y0}
+set atom 98 y ${y0}
+set atom 98 y 8.28462620891627
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 30
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.8951647126609
+variable        y0 equal ${yi}
+variable        y0 equal 2.85868977280953
+
+set             atom $i x ${xnew}
+set             atom 30 x ${xnew}
+set             atom 30 x 4.94261277555763
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 30 y ${ynew}
+set             atom 30 y 2.85001909705498
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1122   -2.9871562   -2.1522176   -2.1303556 
+    1123   -2.9871562   -2.1522176   -2.1368985 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 30 x ${x0}
+set atom 30 x 4.8951647126609
+  1 settings made for x
+set atom $i y ${y0}
+set atom 30 y ${y0}
+set atom 30 y 2.85868977280953
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.33299971897813
+variable        y0 equal ${yi}
+variable        y0 equal 1.87642453095979
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.28497786600801
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.82430138967103
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1123   -2.9871562   -2.1522176   -2.1368985 
+    1124   -2.9871562   -2.1522176   -2.1175093 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.33299971897813
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.87642453095979
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6111590226346
+variable        y0 equal ${yi}
+variable        y0 equal 9.22944378364413
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x 10.5702605326825
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 9.13415164459079
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1124   -2.9871562   -2.1522176   -2.1175093 
+    1125   -2.9871562   -2.1522176   -2.1309765 
+Loop time of 7.60555e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 1 x ${x0}
+set atom 1 x 10.6111590226346
+  1 settings made for x
+set atom $i y ${y0}
+set atom 1 y ${y0}
+set atom 1 y 9.22944378364413
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.545649071136379
+variable        y0 equal ${yi}
+variable        y0 equal 2.77431966039041
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.496001632610225
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.70756001445154
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1125   -2.9871562   -2.1522176   -2.1309765 
+    1126   -2.9871562   -2.1522176   -2.1248685 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.545649071136379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.77431966039041
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 17
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.55511315026705
+variable        y0 equal ${yi}
+variable        y0 equal 9.1494782041344
+
+set             atom $i x ${xnew}
+set             atom 17 x ${xnew}
+set             atom 17 x 8.5157556430382
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 17 y ${ynew}
+set             atom 17 y 9.18696020353168
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1126   -2.9871562   -2.1522176   -2.1248685 
+    1127   -2.9871562   -2.1522176    -2.165775 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.16577499382645
+variable naccept equal ${increment}
+variable naccept equal 305
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 78
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.16654193121941
+variable        y0 equal ${yi}
+variable        y0 equal 6.51635446087352
+
+set             atom $i x ${xnew}
+set             atom 78 x ${xnew}
+set             atom 78 x 9.21994257885964
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 78 y ${ynew}
+set             atom 78 y 6.46503917709819
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1127   -2.9871562    -2.165775    -2.165775 
+    1128   -2.9871562    -2.165775   -2.1153335 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 78 x ${x0}
+set atom 78 x 9.16654193121941
+  1 settings made for x
+set atom $i y ${y0}
+set atom 78 y ${y0}
+set atom 78 y 6.51635446087352
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 26
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.67167732913923
+variable        y0 equal ${yi}
+variable        y0 equal 2.85737189027169
+
+set             atom $i x ${xnew}
+set             atom 26 x ${xnew}
+set             atom 26 x 2.68082190950346
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 26 y ${ynew}
+set             atom 26 y 2.79840850802758
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1128   -2.9871562    -2.165775   -2.1153335 
+    1129   -2.9871562    -2.165775   -2.1515914 
+Loop time of 3.91006e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 26 x ${x0}
+set atom 26 x 2.67167732913923
+  1 settings made for x
+set atom $i y ${y0}
+set atom 26 y ${y0}
+set atom 26 y 2.85737189027169
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 95
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.50331240732442
+variable        y0 equal ${yi}
+variable        y0 equal 7.44483136263156
+
+set             atom $i x ${xnew}
+set             atom 95 x ${xnew}
+set             atom 95 x 7.47326849539052
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 95 y ${ynew}
+set             atom 95 y 7.43898451652789
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1129   -2.9871562    -2.165775   -2.1515914 
+    1130   -2.9871562    -2.165775      -2.1646 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 95 x ${x0}
+set atom 95 x 7.50331240732442
+  1 settings made for x
+set atom $i y ${y0}
+set atom 95 y ${y0}
+set atom 95 y 7.44483136263156
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 43
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.15410325844937
+variable        y0 equal ${yi}
+variable        y0 equal 3.75003771348131
+
+set             atom $i x ${xnew}
+set             atom 43 x ${xnew}
+set             atom 43 x 1.12513141949826
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 43 y ${ynew}
+set             atom 43 y 3.67246260209215
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1130   -2.9871562    -2.165775      -2.1646 
+    1131   -2.9871562    -2.165775   -2.1594605 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 43 x ${x0}
+set atom 43 x 1.15410325844937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 43 y ${y0}
+set atom 43 y 3.75003771348131
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 30
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.8951647126609
+variable        y0 equal ${yi}
+variable        y0 equal 2.85868977280953
+
+set             atom $i x ${xnew}
+set             atom 30 x ${xnew}
+set             atom 30 x 4.87415899872123
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 30 y ${ynew}
+set             atom 30 y 2.89377870532372
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1131   -2.9871562    -2.165775   -2.1594605 
+    1132   -2.9871562    -2.165775   -2.1590435 
+Loop time of 4.81606e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 30 x ${x0}
+set atom 30 x 4.8951647126609
+  1 settings made for x
+set atom $i y ${y0}
+set atom 30 y ${y0}
+set atom 30 y 2.85868977280953
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.50235789218808
+variable        y0 equal ${yi}
+variable        y0 equal 3.73372400565278
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.57091288963223
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.78090056939256
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1132   -2.9871562    -2.165775   -2.1590435 
+    1133   -2.9871562    -2.165775   -2.0942328 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 51 x ${x0}
+set atom 51 x 5.50235789218808
+  1 settings made for x
+set atom $i y ${y0}
+set atom 51 y ${y0}
+set atom 51 y 3.73372400565278
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.19388546387063
+variable        y0 equal ${yi}
+variable        y0 equal 3.77270575328004
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.22496320644723
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.76362574858796
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1133   -2.9871562    -2.165775   -2.0942328 
+    1134   -2.9871562    -2.165775   -2.1610511 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 45 x ${x0}
+set atom 45 x 2.19388546387063
+  1 settings made for x
+set atom $i y ${y0}
+set atom 45 y ${y0}
+set atom 45 y 3.77270575328004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59001860499163
+variable        y0 equal ${yi}
+variable        y0 equal 4.68076303357049
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.67673475622912
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.63834870213433
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1134   -2.9871562    -2.165775   -2.1610511 
+    1135   -2.9871562    -2.165775   -2.1569299 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 44 x ${x0}
+set atom 44 x 1.59001860499163
+  1 settings made for x
+set atom $i y ${y0}
+set atom 44 y ${y0}
+set atom 44 y 4.68076303357049
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.08689599949867
+variable        y0 equal ${yi}
+variable        y0 equal 4.81755102032586
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 9.14854123312981
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.91530180329247
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1135   -2.9871562    -2.165775   -2.1569299 
+    1136   -2.9871562    -2.165775   -2.1391762 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 58 x ${x0}
+set atom 58 x 9.08689599949867
+  1 settings made for x
+set atom $i y ${y0}
+set atom 58 y ${y0}
+set atom 58 y 4.81755102032586
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.93586747366935
+variable        y0 equal ${yi}
+variable        y0 equal 0.897689135778275
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 8.87980985362083
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 0.854127057302323
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1136   -2.9871562    -2.165775   -2.1391762 
+    1137   -2.9871562    -2.165775   -2.1557944 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 18 x ${x0}
+set atom 18 x 8.93586747366935
+  1 settings made for x
+set atom $i y ${y0}
+set atom 18 y ${y0}
+set atom 18 y 0.897689135778275
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 73
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.42834627150613
+variable        y0 equal ${yi}
+variable        y0 equal 5.4691439980765
+
+set             atom $i x ${xnew}
+set             atom 73 x ${xnew}
+set             atom 73 x 6.46373228549081
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 73 y ${ynew}
+set             atom 73 y 5.43826093619067
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1137   -2.9871562    -2.165775   -2.1557944 
+    1138   -2.9871562    -2.165775   -2.1583566 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 73 x ${x0}
+set atom 73 x 6.42834627150613
+  1 settings made for x
+set atom $i y ${y0}
+set atom 73 y ${y0}
+set atom 73 y 5.4691439980765
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.570630665222075
+variable        y0 equal ${yi}
+variable        y0 equal 0.909747691858138
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.599176140228178
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.960370536554183
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1138   -2.9871562    -2.165775   -2.1583566 
+    1139   -2.9871562    -2.165775   -2.1615325 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.570630665222075
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 0.909747691858138
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 87
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.19670169114628
+variable        y0 equal ${yi}
+variable        y0 equal 7.45894124832415
+
+set             atom $i x ${xnew}
+set             atom 87 x ${xnew}
+set             atom 87 x 3.20964491128483
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 87 y ${ynew}
+set             atom 87 y 7.4096286090877
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1139   -2.9871562    -2.165775   -2.1615325 
+    1140   -2.9871562    -2.165775   -2.1662079 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.16620786766263
+variable naccept equal ${increment}
+variable naccept equal 306
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.4157506708166
+variable        y0 equal ${yi}
+variable        y0 equal 6.43439372316829
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.3476545099279
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.42597442404262
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1140   -2.9871562   -2.1662079   -2.1662079 
+    1141   -2.9871562   -2.1662079   -2.1570415 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 80 x ${x0}
+set atom 80 x 10.4157506708166
+  1 settings made for x
+set atom $i y ${y0}
+set atom 80 y ${y0}
+set atom 80 y 6.43439372316829
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.07315314093276
+variable        y0 equal ${yi}
+variable        y0 equal 4.61574550026819
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 7.11453926840468
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.61826166266367
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1141   -2.9871562   -2.1662079   -2.1570415 
+    1142   -2.9871562   -2.1662079   -2.1567147 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.07315314093276
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.61574550026819
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 27
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.19226642608205
+variable        y0 equal ${yi}
+variable        y0 equal 1.99900682351654
+
+set             atom $i x ${xnew}
+set             atom 27 x ${xnew}
+set             atom 27 x 3.28276985644857
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 27 y ${ynew}
+set             atom 27 y 2.09438709399765
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1142   -2.9871562   -2.1662079   -2.1567147 
+    1143   -2.9871562   -2.1662079   -2.1205509 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 27 x ${x0}
+set atom 27 x 3.19226642608205
+  1 settings made for x
+set atom $i y ${y0}
+set atom 27 y ${y0}
+set atom 27 y 1.99900682351654
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.69766905506086
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.62787096852227
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1143   -2.9871562   -2.1662079   -2.1205509 
+    1144   -2.9871562   -2.1662079    -2.161517 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.46753388483297
+variable        y0 equal ${yi}
+variable        y0 equal 0.0335806965827942
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.38857291776907
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y -0.0451780676841736
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1144   -2.9871562   -2.1662079    -2.161517 
+    1145   -2.9871562   -2.1662079   -2.1172882 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 15 x ${x0}
+set atom 15 x 7.46753388483297
+  1 settings made for x
+set atom $i y ${y0}
+set atom 15 y ${y0}
+set atom 15 y 0.0335806965827942
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.11236243842937
+variable        y0 equal ${yi}
+variable        y0 equal 8.24853718198832
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.04289104341365
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.17687092937525
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1145   -2.9871562   -2.1662079   -2.1172882 
+    1146   -2.9871562   -2.1662079   -2.1097908 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.11236243842937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.24853718198832
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 81
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0322040319442937
+variable        y0 equal ${yi}
+variable        y0 equal 7.38692112293505
+
+set             atom $i x ${xnew}
+set             atom 81 x ${xnew}
+set             atom 81 x 0.105302798748035
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 81 y ${ynew}
+set             atom 81 y 7.30429138269686
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1146   -2.9871562   -2.1662079   -2.1097908 
+    1147   -2.9871562   -2.1662079   -2.1561806 
+Loop time of 4.69685e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 81 x ${x0}
+set atom 81 x 0.0322040319442937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 81 y ${y0}
+set atom 81 y 7.38692112293505
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 86
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.73339517314864
+variable        y0 equal ${yi}
+variable        y0 equal 8.40177918590603
+
+set             atom $i x ${xnew}
+set             atom 86 x ${xnew}
+set             atom 86 x 2.66408509214354
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 86 y ${ynew}
+set             atom 86 y 8.48223007835445
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1147   -2.9871562   -2.1662079   -2.1561806 
+    1148   -2.9871562   -2.1662079   -2.1576966 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 86 x ${x0}
+set atom 86 x 2.73339517314864
+  1 settings made for x
+set atom $i y ${y0}
+set atom 86 y ${y0}
+set atom 86 y 8.40177918590603
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.39688163200285
+variable        y0 equal ${yi}
+variable        y0 equal 5.55267873947816
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.41745940843489
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.54884942715364
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1148   -2.9871562   -2.1662079   -2.1576966 
+    1149   -2.9871562   -2.1662079   -2.1665774 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.1665774210028
+variable naccept equal ${increment}
+variable naccept equal 307
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 62
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.69972850839224
+variable        y0 equal ${yi}
+variable        y0 equal 6.49726980463495
+
+set             atom $i x ${xnew}
+set             atom 62 x ${xnew}
+set             atom 62 x 0.654104717174436
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 62 y ${ynew}
+set             atom 62 y 6.49111358658304
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1149   -2.9871562   -2.1665774   -2.1665774 
+    1150   -2.9871562   -2.1665774   -2.1703215 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.17032154223415
+variable naccept equal ${increment}
+variable naccept equal 308
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.9899615760564
+variable        y0 equal ${yi}
+variable        y0 equal 4.5907792245762
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 6.00822756249897
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.53190805071756
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1150   -2.9871562   -2.1703215   -2.1703215 
+    1151   -2.9871562   -2.1703215   -2.1347581 
+Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 52 x ${x0}
+set atom 52 x 5.9899615760564
+  1 settings made for x
+set atom $i y ${y0}
+set atom 52 y ${y0}
+set atom 52 y 4.5907792245762
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 97
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.64328949609225
+variable        y0 equal ${yi}
+variable        y0 equal 7.40728055563236
+
+set             atom $i x ${xnew}
+set             atom 97 x ${xnew}
+set             atom 97 x 8.72356691518252
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 97 y ${ynew}
+set             atom 97 y 7.4188692244556
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1151   -2.9871562   -2.1703215   -2.1347581 
+    1152   -2.9871562   -2.1703215   -2.1677689 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 97 x ${x0}
+set atom 97 x 8.64328949609225
+  1 settings made for x
+set atom $i y ${y0}
+set atom 97 y ${y0}
+set atom 97 y 7.40728055563236
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.08689599949867
+variable        y0 equal ${yi}
+variable        y0 equal 4.81755102032586
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 9.00002467352897
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.7307886039631
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1152   -2.9871562   -2.1703215   -2.1677689 
+    1153   -2.9871562   -2.1703215   -2.1138879 
+Loop time of 8.51154e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 58 x ${x0}
+set atom 58 x 9.08689599949867
+  1 settings made for x
+set atom $i y ${y0}
+set atom 58 y ${y0}
+set atom 58 y 4.81755102032586
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 7
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.22492432355444
+variable        y0 equal ${yi}
+variable        y0 equal 0.0240613460540867
+
+set             atom $i x ${xnew}
+set             atom 7 x ${xnew}
+set             atom 7 x 3.28626711129705
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 7 y ${ynew}
+set             atom 7 y -0.0586591124534511
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1153   -2.9871562   -2.1703215   -2.1138879 
+    1154   -2.9871562   -2.1703215   -2.1594252 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 7 x ${x0}
+set atom 7 x 3.22492432355444
+  1 settings made for x
+set atom $i y ${y0}
+set atom 7 y ${y0}
+set atom 7 y 0.0240613460540867
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.49823891638834
+variable        y0 equal ${yi}
+variable        y0 equal 3.73309955163132
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.47828716754038
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.67844161553513
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1154   -2.9871562   -2.1703215   -2.1594252 
+    1155   -2.9871562   -2.1703215   -2.1534389 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 53 x ${x0}
+set atom 53 x 6.49823891638834
+  1 settings made for x
+set atom $i y ${y0}
+set atom 53 y ${y0}
+set atom 53 y 3.73309955163132
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 12
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.89968223531238
+variable        y0 equal ${yi}
+variable        y0 equal 0.886041899431079
+
+set             atom $i x ${xnew}
+set             atom 12 x ${xnew}
+set             atom 12 x 5.85675258595935
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 12 y ${ynew}
+set             atom 12 y 0.888840575921863
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1155   -2.9871562   -2.1703215   -2.1534389 
+    1156   -2.9871562   -2.1703215   -2.1725121 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.17251207266726
+variable naccept equal ${increment}
+variable naccept equal 309
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.54407576480333
+variable        y0 equal ${yi}
+variable        y0 equal 3.66106940074097
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.55007757106248
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.6280117825998
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1156   -2.9871562   -2.1725121   -2.1725121 
+    1157   -2.9871562   -2.1725121   -2.1702938 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 57 x ${x0}
+set atom 57 x 8.54407576480333
+  1 settings made for x
+set atom $i y ${y0}
+set atom 57 y ${y0}
+set atom 57 y 3.66106940074097
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 24
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.66311051726122
+variable        y0 equal ${yi}
+variable        y0 equal 2.84872870417932
+
+set             atom $i x ${xnew}
+set             atom 24 x ${xnew}
+set             atom 24 x 1.58530928969164
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 24 y ${ynew}
+set             atom 24 y 2.75449854108194
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1157   -2.9871562   -2.1725121   -2.1702938 
+    1158   -2.9871562   -2.1725121   -2.1755075 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.17550751185153
+variable naccept equal ${increment}
+variable naccept equal 310
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.16921079794274
+variable        y0 equal ${yi}
+variable        y0 equal 1.86157575032777
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.17886902729378
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.76391618630952
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1158   -2.9871562   -2.1755075   -2.1755075 
+    1159   -2.9871562   -2.1755075    -2.142306 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.16921079794274
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.86157575032777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 82
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.44764589826193
+variable        y0 equal ${yi}
+variable        y0 equal 8.32563534893091
+
+set             atom $i x ${xnew}
+set             atom 82 x ${xnew}
+set             atom 82 x 0.545979900756742
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 82 y ${ynew}
+set             atom 82 y 8.34371250785883
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1159   -2.9871562   -2.1755075    -2.142306 
+    1160   -2.9871562   -2.1755075   -2.1701465 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 82 x ${x0}
+set atom 82 x 0.44764589826193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 82 y ${y0}
+set atom 82 y 8.32563534893091
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.89360781310894
+variable        y0 equal ${yi}
+variable        y0 equal 0.970815511453479
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 7.95025718807079
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 0.949378951299518
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1160   -2.9871562   -2.1755075   -2.1701465 
+    1161   -2.9871562   -2.1755075   -2.1752032 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.17520320560261
+variable naccept equal ${increment}
+variable naccept equal 311
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.49823891638834
+variable        y0 equal ${yi}
+variable        y0 equal 3.73309955163132
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.58669563054163
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.75819195075165
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1161   -2.9871562   -2.1752032   -2.1752032 
+    1162   -2.9871562   -2.1752032   -2.1606636 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 53 x ${x0}
+set atom 53 x 6.49823891638834
+  1 settings made for x
+set atom $i y ${y0}
+set atom 53 y ${y0}
+set atom 53 y 3.73309955163132
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.77716802000341
+variable        y0 equal ${yi}
+variable        y0 equal 8.29469001211223
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.85146122812566
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.31532715477046
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1162   -2.9871562   -2.1752032   -2.1606636 
+    1163   -2.9871562   -2.1752032   -2.1822669 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.18226691609051
+variable naccept equal ${increment}
+variable naccept equal 312
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 95
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.50331240732442
+variable        y0 equal ${yi}
+variable        y0 equal 7.44483136263156
+
+set             atom $i x ${xnew}
+set             atom 95 x ${xnew}
+set             atom 95 x 7.44194593269597
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 95 y ${ynew}
+set             atom 95 y 7.50417813387179
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1163   -2.9871562   -2.1822669   -2.1822669 
+    1164   -2.9871562   -2.1822669    -2.175832 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 95 x ${x0}
+set atom 95 x 7.50331240732442
+  1 settings made for x
+set atom $i y ${y0}
+set atom 95 y ${y0}
+set atom 95 y 7.44483136263156
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.89080204048797
+variable        y0 equal ${yi}
+variable        y0 equal 0.962413962591011
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.8989058760707
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 0.992066200483162
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1164   -2.9871562   -2.1822669    -2.175832 
+    1165   -2.9871562   -2.1822669   -2.1772621 
+Loop time of 4.3869e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 14 x ${x0}
+set atom 14 x 6.89080204048797
+  1 settings made for x
+set atom $i y ${y0}
+set atom 14 y ${y0}
+set atom 14 y 0.962413962591011
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.76206280509119
+variable        y0 equal ${yi}
+variable        y0 equal 4.61360334509775
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.8253456644166
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.53965295905039
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1165   -2.9871562   -2.1822669   -2.1772621 
+    1166   -2.9871562   -2.1822669    -2.166644 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 48 x ${x0}
+set atom 48 x 3.76206280509119
+  1 settings made for x
+set atom $i y ${y0}
+set atom 48 y ${y0}
+set atom 48 y 4.61360334509775
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 62
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.654104717174436
+variable        y0 equal ${yi}
+variable        y0 equal 6.49111358658304
+
+set             atom $i x ${xnew}
+set             atom 62 x ${xnew}
+set             atom 62 x 0.602324505248929
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 62 y ${ynew}
+set             atom 62 y 6.48414600626459
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1166   -2.9871562   -2.1822669    -2.166644 
+    1167   -2.9871562   -2.1822669   -2.1624125 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 62 x ${x0}
+set atom 62 x 0.654104717174436
+  1 settings made for x
+set atom $i y ${y0}
+set atom 62 y ${y0}
+set atom 62 y 6.49111358658304
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 60
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1148146752378
+variable        y0 equal ${yi}
+variable        y0 equal 4.54698911065027
+
+set             atom $i x ${xnew}
+set             atom 60 x ${xnew}
+set             atom 60 x 10.0763516906759
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 60 y ${ynew}
+set             atom 60 y 4.53816328400537
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1167   -2.9871562   -2.1822669   -2.1624125 
+    1168   -2.9871562   -2.1822669   -2.1749248 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 60 x ${x0}
+set atom 60 x 10.1148146752378
+  1 settings made for x
+set atom $i y ${y0}
+set atom 60 y ${y0}
+set atom 60 y 4.54698911065027
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31064851680662
+variable        y0 equal ${yi}
+variable        y0 equal 1.91864991567201
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.21164707342054
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 1.8427583255536
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1168   -2.9871562   -2.1822669   -2.1749248 
+    1169   -2.9871562   -2.1822669   -2.0541052 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 31 x ${x0}
+set atom 31 x 5.31064851680662
+  1 settings made for x
+set atom $i y ${y0}
+set atom 31 y ${y0}
+set atom 31 y 1.91864991567201
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 60
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1148146752378
+variable        y0 equal ${yi}
+variable        y0 equal 4.54698911065027
+
+set             atom $i x ${xnew}
+set             atom 60 x ${xnew}
+set             atom 60 x 10.2142434600851
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 60 y ${ynew}
+set             atom 60 y 4.50316708439752
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1169   -2.9871562   -2.1822669   -2.0541052 
+    1170   -2.9871562   -2.1822669   -2.1695054 
+Loop time of 0.018285 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 60 x ${x0}
+set atom 60 x 10.1148146752378
+  1 settings made for x
+set atom $i y ${y0}
+set atom 60 y ${y0}
+set atom 60 y 4.54698911065027
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.00726719538078
+variable        y0 equal ${yi}
+variable        y0 equal 0.00341384410857337
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 2.07584694067344
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y 0.00976005792616981
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1170   -2.9871562   -2.1822669   -2.1695054 
+    1171   -2.9871562   -2.1822669    -2.190803 
+Loop time of 4.57764e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.19080301621031
+variable naccept equal ${increment}
+variable naccept equal 313
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.545649071136379
+variable        y0 equal ${yi}
+variable        y0 equal 2.77431966039041
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.631556172767543
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.8337506887565
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1171   -2.9871562    -2.190803    -2.190803 
+    1172   -2.9871562    -2.190803   -2.1696095 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.545649071136379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.77431966039041
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.11815181096249
+variable        y0 equal ${yi}
+variable        y0 equal 7.44427507248187
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.20192232449704
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.46502292480731
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1172   -2.9871562    -2.190803   -2.1696095 
+    1173   -2.9871562    -2.190803   -2.1623233 
+Loop time of 3.91006e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.11815181096249
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.44427507248187
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 9
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.31488733370514
+variable        y0 equal ${yi}
+variable        y0 equal 0.0164698362350535
+
+set             atom $i x ${xnew}
+set             atom 9 x ${xnew}
+set             atom 9 x 4.34552183230133
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 9 y ${ynew}
+set             atom 9 y 0.112367868423469
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1173   -2.9871562    -2.190803   -2.1623233 
+    1174   -2.9871562    -2.190803   -2.1740217 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 9 x ${x0}
+set atom 9 x 4.31488733370514
+  1 settings made for x
+set atom $i y ${y0}
+set atom 9 y ${y0}
+set atom 9 y 0.0164698362350535
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.36479252655717
+variable        y0 equal ${yi}
+variable        y0 equal 7.37975311603808
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.38815976460191
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.34372957077288
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1174   -2.9871562    -2.190803   -2.1740217 
+    1175   -2.9871562    -2.190803   -2.1691292 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 89 x ${x0}
+set atom 89 x 4.36479252655717
+  1 settings made for x
+set atom $i y ${y0}
+set atom 89 y ${y0}
+set atom 89 y 7.37975311603808
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 24
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.58530928969164
+variable        y0 equal ${yi}
+variable        y0 equal 2.75449854108194
+
+set             atom $i x ${xnew}
+set             atom 24 x ${xnew}
+set             atom 24 x 1.56724593519945
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 24 y ${ynew}
+set             atom 24 y 2.68372769328455
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1175   -2.9871562    -2.190803   -2.1691292 
+    1176   -2.9871562    -2.190803   -2.1641552 
+Loop time of 8.51154e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 24 x ${x0}
+set atom 24 x 1.58530928969164
+  1 settings made for x
+set atom $i y ${y0}
+set atom 24 y ${y0}
+set atom 24 y 2.75449854108194
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 32
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.90086858232013
+variable        y0 equal ${yi}
+variable        y0 equal 2.85332814427712
+
+set             atom $i x ${xnew}
+set             atom 32 x ${xnew}
+set             atom 32 x 5.81264709193698
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 32 y ${ynew}
+set             atom 32 y 2.86744134398797
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1176   -2.9871562    -2.190803   -2.1641552 
+    1177   -2.9871562    -2.190803   -2.1181632 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 32 x ${x0}
+set atom 32 x 5.90086858232013
+  1 settings made for x
+set atom $i y ${y0}
+set atom 32 y ${y0}
+set atom 32 y 2.85332814427712
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 63
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.987933591205408
+variable        y0 equal ${yi}
+variable        y0 equal 5.5415678853293
+
+set             atom $i x ${xnew}
+set             atom 63 x ${xnew}
+set             atom 63 x 0.912841990787317
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 63 y ${ynew}
+set             atom 63 y 5.49567404930788
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1177   -2.9871562    -2.190803   -2.1181632 
+    1178   -2.9871562    -2.190803   -2.1626279 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 63 x ${x0}
+set atom 63 x 0.987933591205408
+  1 settings made for x
+set atom $i y ${y0}
+set atom 63 y ${y0}
+set atom 63 y 5.5415678853293
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 49
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.29979468662949
+variable        y0 equal ${yi}
+variable        y0 equal 3.68506254716051
+
+set             atom $i x ${xnew}
+set             atom 49 x ${xnew}
+set             atom 49 x 4.3912913926384
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 49 y ${ynew}
+set             atom 49 y 3.66139539046419
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1178   -2.9871562    -2.190803   -2.1626279 
+    1179   -2.9871562    -2.190803   -2.1739042 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 49 x ${x0}
+set atom 49 x 4.29979468662949
+  1 settings made for x
+set atom $i y ${y0}
+set atom 49 y ${y0}
+set atom 49 y 3.68506254716051
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.70009867151213
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.76263666504785
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1179   -2.9871562    -2.190803   -2.1739042 
+    1180   -2.9871562    -2.190803   -2.1553483 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 24
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.58530928969164
+variable        y0 equal ${yi}
+variable        y0 equal 2.75449854108194
+
+set             atom $i x ${xnew}
+set             atom 24 x ${xnew}
+set             atom 24 x 1.50656530737658
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 24 y ${ynew}
+set             atom 24 y 2.78213430615762
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1180   -2.9871562    -2.190803   -2.1553483 
+    1181   -2.9871562    -2.190803   -2.1656613 
+Loop time of 7.70092e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 24 x ${x0}
+set atom 24 x 1.58530928969164
+  1 settings made for x
+set atom $i y ${y0}
+set atom 24 y ${y0}
+set atom 24 y 2.75449854108194
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31064851680662
+variable        y0 equal ${yi}
+variable        y0 equal 1.91864991567201
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.22675153413679
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 1.97428019425935
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1181   -2.9871562    -2.190803   -2.1656613 
+    1182   -2.9871562    -2.190803   -2.1049158 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 31 x ${x0}
+set atom 31 x 5.31064851680662
+  1 settings made for x
+set atom $i y ${y0}
+set atom 31 y ${y0}
+set atom 31 y 1.91864991567201
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 41
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0739950656890791
+variable        y0 equal ${yi}
+variable        y0 equal 3.67012049718035
+
+set             atom $i x ${xnew}
+set             atom 41 x ${xnew}
+set             atom 41 x 0.112804532051079
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 41 y ${ynew}
+set             atom 41 y 3.63683203024996
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1182   -2.9871562    -2.190803   -2.1049158 
+    1183   -2.9871562    -2.190803    -2.175116 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 41 x ${x0}
+set atom 41 x 0.0739950656890791
+  1 settings made for x
+set atom $i y ${y0}
+set atom 41 y ${y0}
+set atom 41 y 3.67012049718035
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.08689599949867
+variable        y0 equal ${yi}
+variable        y0 equal 4.81755102032586
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 8.99956400115043
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.91183400505944
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1183   -2.9871562    -2.190803    -2.175116 
+    1184   -2.9871562    -2.190803   -2.0565012 
+Loop time of 3.88622e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 58 x ${x0}
+set atom 58 x 9.08689599949867
+  1 settings made for x
+set atom $i y ${y0}
+set atom 58 y ${y0}
+set atom 58 y 4.81755102032586
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.46753388483297
+variable        y0 equal ${yi}
+variable        y0 equal 0.0335806965827942
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.44639998514425
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y 0.0933499455451965
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1184   -2.9871562    -2.190803   -2.0565012 
+    1185   -2.9871562    -2.190803   -2.1816823 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 15 x ${x0}
+set atom 15 x 7.46753388483297
+  1 settings made for x
+set atom $i y ${y0}
+set atom 15 y ${y0}
+set atom 15 y 0.0335806965827942
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.33299971897813
+variable        y0 equal ${yi}
+variable        y0 equal 1.87642453095979
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.37364662964555
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.90598655126161
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1185   -2.9871562    -2.190803   -2.1816823 
+    1186   -2.9871562    -2.190803   -2.1780907 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.33299971897813
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.87642453095979
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 93
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.37491369961817
+variable        y0 equal ${yi}
+variable        y0 equal 7.49044490185045
+
+set             atom $i x ${xnew}
+set             atom 93 x ${xnew}
+set             atom 93 x 6.45546932934839
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 93 y ${ynew}
+set             atom 93 y 7.46753717985414
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1186   -2.9871562    -2.190803   -2.1780907 
+    1187   -2.9871562    -2.190803   -2.1984487 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.19844868169189
+variable naccept equal ${increment}
+variable naccept equal 314
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.302839982893
+variable        y0 equal ${yi}
+variable        y0 equal 0.902523060548633
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.3395722869892
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 0.949974997747272
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1187   -2.9871562   -2.1984487   -2.1984487 
+    1188   -2.9871562   -2.1984487   -2.1865853 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 20 x ${x0}
+set atom 20 x 10.302839982893
+  1 settings made for x
+set atom $i y ${y0}
+set atom 20 y ${y0}
+set atom 20 y 0.902523060548633
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 78
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.16654193121941
+variable        y0 equal ${yi}
+variable        y0 equal 6.51635446087352
+
+set             atom $i x ${xnew}
+set             atom 78 x ${xnew}
+set             atom 78 x 9.15111655909569
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 78 y ${ynew}
+set             atom 78 y 6.52915453449718
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1188   -2.9871562   -2.1984487   -2.1865853 
+    1189   -2.9871562   -2.1984487   -2.2000649 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.20006491638399
+variable naccept equal ${increment}
+variable naccept equal 315
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.30100279251004
+variable        y0 equal ${yi}
+variable        y0 equal 7.47468527879977
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.24694568315411
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.53342558470034
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1189   -2.9871562   -2.2000649   -2.2000649 
+    1190   -2.9871562   -2.2000649   -2.0642401 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 91 x ${x0}
+set atom 91 x 5.30100279251004
+  1 settings made for x
+set atom $i y ${y0}
+set atom 91 y ${y0}
+set atom 91 y 7.47468527879977
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 10
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.86377175688087
+variable        y0 equal ${yi}
+variable        y0 equal 0.979123874414294
+
+set             atom $i x ${xnew}
+set             atom 10 x ${xnew}
+set             atom 10 x 4.80188562511741
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 10 y ${ynew}
+set             atom 10 y 0.909176393258899
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1190   -2.9871562   -2.2000649   -2.0642401 
+    1191   -2.9871562   -2.2000649   -2.2053168 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.20531678088674
+variable naccept equal ${increment}
+variable naccept equal 316
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 39
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.48253180264112
+variable        y0 equal ${yi}
+variable        y0 equal 1.83061694285935
+
+set             atom $i x ${xnew}
+set             atom 39 x ${xnew}
+set             atom 39 x 9.4705833124983
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 39 y ${ynew}
+set             atom 39 y 1.90757302424973
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1191   -2.9871562   -2.2053168   -2.2053168 
+    1192   -2.9871562   -2.2053168    -2.164935 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 39 x ${x0}
+set atom 39 x 9.48253180264112
+  1 settings made for x
+set atom $i y ${y0}
+set atom 39 y ${y0}
+set atom 39 y 1.83061694285935
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 12
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.85675258595935
+variable        y0 equal ${yi}
+variable        y0 equal 0.888840575921863
+
+set             atom $i x ${xnew}
+set             atom 12 x ${xnew}
+set             atom 12 x 5.93171240050784
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 12 y ${ynew}
+set             atom 12 y 0.816528971898883
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1192   -2.9871562   -2.2053168    -2.164935 
+    1193   -2.9871562   -2.2053168   -2.1536106 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 12 x ${x0}
+set atom 12 x 5.85675258595935
+  1 settings made for x
+set atom $i y ${y0}
+set atom 12 y ${y0}
+set atom 12 y 0.888840575921863
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 99
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.79539506910918
+variable        y0 equal ${yi}
+variable        y0 equal 7.31491797294879
+
+set             atom $i x ${xnew}
+set             atom 99 x ${xnew}
+set             atom 99 x 9.7112571763861
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 99 y ${ynew}
+set             atom 99 y 7.38156818475986
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1193   -2.9871562   -2.2053168   -2.1536106 
+    1194   -2.9871562   -2.2053168   -2.2096759 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.20967590758971
+variable naccept equal ${increment}
+variable naccept equal 317
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.54351456640837
+variable        y0 equal ${yi}
+variable        y0 equal 3.68936000628603
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.45224042414305
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.76627267165316
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1194   -2.9871562   -2.2096759   -2.2096759 
+    1195   -2.9871562   -2.2096759   -2.1614827 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 59 x ${x0}
+set atom 59 x 9.54351456640837
+  1 settings made for x
+set atom $i y ${y0}
+set atom 59 y ${y0}
+set atom 59 y 3.68936000628603
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 9
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.31488733370514
+variable        y0 equal ${yi}
+variable        y0 equal 0.0164698362350535
+
+set             atom $i x ${xnew}
+set             atom 9 x ${xnew}
+set             atom 9 x 4.35656082709045
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 9 y ${ynew}
+set             atom 9 y 0.10943429470063
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1195   -2.9871562   -2.2096759   -2.1614827 
+    1196   -2.9871562   -2.2096759   -2.1445307 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 9 x ${x0}
+set atom 9 x 4.31488733370514
+  1 settings made for x
+set atom $i y ${y0}
+set atom 9 y ${y0}
+set atom 9 y 0.0164698362350535
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 8
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.71182399312144
+variable        y0 equal ${yi}
+variable        y0 equal 1.11174833368096
+
+set             atom $i x ${xnew}
+set             atom 8 x ${xnew}
+set             atom 8 x 3.7561781100381
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 8 y ${ynew}
+set             atom 8 y 1.17933736633095
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1196   -2.9871562   -2.2096759   -2.1445307 
+    1197   -2.9871562   -2.2096759   -2.1477036 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 8 x ${x0}
+set atom 8 x 3.71182399312144
+  1 settings made for x
+set atom $i y ${y0}
+set atom 8 y ${y0}
+set atom 8 y 1.11174833368096
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.87741336464225
+variable        y0 equal ${yi}
+variable        y0 equal 6.4556893421792
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.86141483425437
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.52078018919458
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1197   -2.9871562   -2.2096759   -2.1477036 
+    1198   -2.9871562   -2.2096759   -2.2010059 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 4.87741336464225
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.4556893421792
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 60
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1148146752378
+variable        y0 equal ${yi}
+variable        y0 equal 4.54698911065027
+
+set             atom $i x ${xnew}
+set             atom 60 x ${xnew}
+set             atom 60 x 10.0419092301389
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 60 y ${ynew}
+set             atom 60 y 4.59138042086527
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1198   -2.9871562   -2.2096759   -2.2010059 
+    1199   -2.9871562   -2.2096759     -2.19612 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 60 x ${x0}
+set atom 60 x 10.1148146752378
+  1 settings made for x
+set atom $i y ${y0}
+set atom 60 y ${y0}
+set atom 60 y 4.54698911065027
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 86
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.73339517314864
+variable        y0 equal ${yi}
+variable        y0 equal 8.40177918590603
+
+set             atom $i x ${xnew}
+set             atom 86 x ${xnew}
+set             atom 86 x 2.71264111001922
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 86 y ${ynew}
+set             atom 86 y 8.37165092147884
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1199   -2.9871562   -2.2096759     -2.19612 
+    1200   -2.9871562   -2.2096759   -2.2106296 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.21062956346136
+variable naccept equal ${increment}
+variable naccept equal 318
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.83145104844999
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.60614227408334
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1200   -2.9871562   -2.2106296   -2.2106296 
+    1201   -2.9871562   -2.2106296   -2.1555903 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 68
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80623258868343
+variable        y0 equal ${yi}
+variable        y0 equal 6.50073292986383
+
+set             atom $i x ${xnew}
+set             atom 68 x ${xnew}
+set             atom 68 x 3.75035911122448
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 68 y ${ynew}
+set             atom 68 y 6.55652973190774
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1201   -2.9871562   -2.2106296   -2.1555903 
+    1202   -2.9871562   -2.2106296    -2.190058 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 68 x ${x0}
+set atom 68 x 3.80623258868343
+  1 settings made for x
+set atom $i y ${y0}
+set atom 68 y ${y0}
+set atom 68 y 6.50073292986383
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.90265085656634
+variable        y0 equal ${yi}
+variable        y0 equal 6.60202899710169
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 5.96878697831622
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.53832680717936
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1202   -2.9871562   -2.2106296    -2.190058 
+    1203   -2.9871562   -2.2106296    -2.221077 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.22107699955379
+variable naccept equal ${increment}
+variable naccept equal 319
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 68
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80623258868343
+variable        y0 equal ${yi}
+variable        y0 equal 6.50073292986383
+
+set             atom $i x ${xnew}
+set             atom 68 x ${xnew}
+set             atom 68 x 3.79372576991207
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 68 y ${ynew}
+set             atom 68 y 6.40643674866189
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1203   -2.9871562    -2.221077    -2.221077 
+    1204   -2.9871562    -2.221077   -2.1824982 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 68 x ${x0}
+set atom 68 x 3.80623258868343
+  1 settings made for x
+set atom $i y ${y0}
+set atom 68 y ${y0}
+set atom 68 y 6.50073292986383
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 67
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.31808795690099
+variable        y0 equal ${yi}
+variable        y0 equal 5.6091846699019
+
+set             atom $i x ${xnew}
+set             atom 67 x ${xnew}
+set             atom 67 x 3.27674256324331
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 67 y ${ynew}
+set             atom 67 y 5.69314532225328
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1204   -2.9871562    -2.221077   -2.1824982 
+    1205   -2.9871562    -2.221077   -2.1761736 
+Loop time of 4.57764e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 67 x ${x0}
+set atom 67 x 3.31808795690099
+  1 settings made for x
+set atom $i y ${y0}
+set atom 67 y ${y0}
+set atom 67 y 5.6091846699019
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.11815181096249
+variable        y0 equal ${yi}
+variable        y0 equal 7.44427507248187
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.17432607730084
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.40014324512744
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1205   -2.9871562    -2.221077   -2.1761736 
+    1206   -2.9871562    -2.221077   -2.2091438 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.11815181096249
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.44427507248187
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 76
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.12744101880885
+variable        y0 equal ${yi}
+variable        y0 equal 6.56631985441675
+
+set             atom $i x ${xnew}
+set             atom 76 x ${xnew}
+set             atom 76 x 8.09524523614741
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 76 y ${ynew}
+set             atom 76 y 6.66529742018213
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1206   -2.9871562    -2.221077   -2.2091438 
+    1207   -2.9871562    -2.221077   -2.1813349 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 76 x ${x0}
+set atom 76 x 8.12744101880885
+  1 settings made for x
+set atom $i y ${y0}
+set atom 76 y ${y0}
+set atom 76 y 6.56631985441675
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.15771750847207
+variable        y0 equal ${yi}
+variable        y0 equal 7.45649659958148
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.13920235077249
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.50778686132693
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1207   -2.9871562    -2.221077   -2.1813349 
+    1208   -2.9871562    -2.221077    -2.208512 
+Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.15771750847207
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.45649659958148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.570630665222075
+variable        y0 equal ${yi}
+variable        y0 equal 0.909747691858138
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.502702804008391
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.906130023706282
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1208   -2.9871562    -2.221077    -2.208512 
+    1209   -2.9871562    -2.221077   -2.1984798 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.570630665222075
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 0.909747691858138
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.76206280509119
+variable        y0 equal ${yi}
+variable        y0 equal 4.61360334509775
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.80759401837473
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.6440585290806
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1209   -2.9871562    -2.221077   -2.1984798 
+    1210   -2.9871562    -2.221077   -2.2283724 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.22837236137058
+variable naccept equal ${increment}
+variable naccept equal 320
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.15771750847207
+variable        y0 equal ${yi}
+variable        y0 equal 7.45649659958148
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.25474564472543
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.51284643736148
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1210   -2.9871562   -2.2283724   -2.2283724 
+    1211   -2.9871562   -2.2283724   -2.1922098 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.15771750847207
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.45649659958148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.302839982893
+variable        y0 equal ${yi}
+variable        y0 equal 0.902523060548633
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.3461343888302
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 0.92704143117699
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1211   -2.9871562   -2.2283724   -2.1922098 
+    1212   -2.9871562   -2.2283724    -2.213443 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 20 x ${x0}
+set atom 20 x 10.302839982893
+  1 settings made for x
+set atom $i y ${y0}
+set atom 20 y ${y0}
+set atom 20 y 0.902523060548633
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.24420675992527
+variable        y0 equal ${yi}
+variable        y0 equal 3.73567457957399
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.25556523561039
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.67408250136507
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1212   -2.9871562   -2.2283724    -2.213443 
+    1213   -2.9871562   -2.2283724   -2.2212972 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 47 x ${x0}
+set atom 47 x 3.24420675992527
+  1 settings made for x
+set atom $i y ${y0}
+set atom 47 y ${y0}
+set atom 47 y 3.73567457957399
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.95025718807079
+variable        y0 equal ${yi}
+variable        y0 equal 0.949378951299518
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 7.93181231616832
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 0.882427306878894
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1213   -2.9871562   -2.2283724   -2.2212972 
+    1214   -2.9871562   -2.2283724   -2.2222423 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 16 x ${x0}
+set atom 16 x 7.95025718807079
+  1 settings made for x
+set atom $i y ${y0}
+set atom 16 y ${y0}
+set atom 16 y 0.949378951299518
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 36
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.03611046670772
+variable        y0 equal ${yi}
+variable        y0 equal 2.66520280810693
+
+set             atom $i x ${xnew}
+set             atom 36 x ${xnew}
+set             atom 36 x 7.95175537465908
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 36 y ${ynew}
+set             atom 36 y 2.62004034491876
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1214   -2.9871562   -2.2283724   -2.2222423 
+    1215   -2.9871562   -2.2283724   -2.1973477 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 36 x ${x0}
+set atom 36 x 8.03611046670772
+  1 settings made for x
+set atom $i y ${y0}
+set atom 36 y ${y0}
+set atom 36 y 2.66520280810693
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 84
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.63794375538607
+variable        y0 equal ${yi}
+variable        y0 equal 8.371298693791
+
+set             atom $i x ${xnew}
+set             atom 84 x ${xnew}
+set             atom 84 x 1.65366426586886
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 84 y ${ynew}
+set             atom 84 y 8.31177349008617
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1215   -2.9871562   -2.2283724   -2.1973477 
+    1216   -2.9871562   -2.2283724   -2.2154126 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 84 x ${x0}
+set atom 84 x 1.63794375538607
+  1 settings made for x
+set atom $i y ${y0}
+set atom 84 y ${y0}
+set atom 84 y 8.371298693791
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 26
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.67167732913923
+variable        y0 equal ${yi}
+variable        y0 equal 2.85737189027169
+
+set             atom $i x ${xnew}
+set             atom 26 x ${xnew}
+set             atom 26 x 2.75099048812818
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 26 y ${ynew}
+set             atom 26 y 2.79699876281121
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1216   -2.9871562   -2.2283724   -2.2154126 
+    1217   -2.9871562   -2.2283724   -2.1817044 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 26 x ${x0}
+set atom 26 x 2.67167732913923
+  1 settings made for x
+set atom $i y ${y0}
+set atom 26 y ${y0}
+set atom 26 y 2.85737189027169
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.4157506708166
+variable        y0 equal ${yi}
+variable        y0 equal 6.43439372316829
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.4257452134153
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.33482057587138
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1217   -2.9871562   -2.2283724   -2.1817044 
+    1218   -2.9871562   -2.2283724    -2.159948 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 80 x ${x0}
+set atom 80 x 10.4157506708166
+  1 settings made for x
+set atom $i y ${y0}
+set atom 80 y ${y0}
+set atom 80 y 6.43439372316829
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.41745940843489
+variable        y0 equal ${yi}
+variable        y0 equal 5.54884942715364
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.34006394544508
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.55278112833696
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1218   -2.9871562   -2.2283724    -2.159948 
+    1219   -2.9871562   -2.2283724   -2.2132233 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 71 x ${x0}
+set atom 71 x 5.41745940843489
+  1 settings made for x
+set atom $i y ${y0}
+set atom 71 y ${y0}
+set atom 71 y 5.54884942715364
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 75
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.51190109092961
+variable        y0 equal ${yi}
+variable        y0 equal 5.64376431648928
+
+set             atom $i x ${xnew}
+set             atom 75 x ${xnew}
+set             atom 75 x 7.54070384342442
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 75 y ${ynew}
+set             atom 75 y 5.62746680920321
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1219   -2.9871562   -2.2283724   -2.2132233 
+    1220   -2.9871562   -2.2283724   -2.2324641 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.23246413475692
+variable naccept equal ${increment}
+variable naccept equal 321
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.36479252655717
+variable        y0 equal ${yi}
+variable        y0 equal 7.37975311603808
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.36001088698121
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.45248247709536
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1220   -2.9871562   -2.2324641   -2.2324641 
+    1221   -2.9871562   -2.2324641   -2.2246301 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 89 x ${x0}
+set atom 89 x 4.36479252655717
+  1 settings made for x
+set atom $i y ${y0}
+set atom 89 y ${y0}
+set atom 89 y 7.37975311603808
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 8
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.71182399312144
+variable        y0 equal ${yi}
+variable        y0 equal 1.11174833368096
+
+set             atom $i x ${xnew}
+set             atom 8 x ${xnew}
+set             atom 8 x 3.65691963950282
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 8 y ${ynew}
+set             atom 8 y 1.01446969102654
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1221   -2.9871562   -2.2324641   -2.2246301 
+    1222   -2.9871562   -2.2324641   -2.2358475 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.23584753929906
+variable naccept equal ${increment}
+variable naccept equal 322
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.96819095888778
+variable        y0 equal ${yi}
+variable        y0 equal 2.85498608323434
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 6.94860477724716
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.90535217496255
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1222   -2.9871562   -2.2358475   -2.2358475 
+    1223   -2.9871562   -2.2358475   -2.2100285 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 34 x ${x0}
+set atom 34 x 6.96819095888778
+  1 settings made for x
+set atom $i y ${y0}
+set atom 34 y ${y0}
+set atom 34 y 2.85498608323434
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80759401837473
+variable        y0 equal ${yi}
+variable        y0 equal 4.6440585290806
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.81420859614496
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.69690801257059
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1223   -2.9871562   -2.2358475   -2.2100285 
+    1224   -2.9871562   -2.2358475   -2.2275377 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 48 x ${x0}
+set atom 48 x 3.80759401837473
+  1 settings made for x
+set atom $i y ${y0}
+set atom 48 y ${y0}
+set atom 48 y 4.6440585290806
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.87741336464225
+variable        y0 equal ${yi}
+variable        y0 equal 6.4556893421792
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.8661227667266
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.38212358490457
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1224   -2.9871562   -2.2358475   -2.2275377 
+    1225   -2.9871562   -2.2358475   -2.2179744 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 4.87741336464225
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.4556893421792
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.11815181096249
+variable        y0 equal ${yi}
+variable        y0 equal 7.44427507248187
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.03605349381619
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.40198042717242
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1225   -2.9871562   -2.2358475   -2.2179744 
+    1226   -2.9871562   -2.2358475    -2.220358 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.11815181096249
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.44427507248187
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.85146122812566
+variable        y0 equal ${yi}
+variable        y0 equal 8.31532715477046
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.81688043712911
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.38843538679179
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1226   -2.9871562   -2.2358475    -2.220358 
+    1227   -2.9871562   -2.2358475   -2.2557561 
+Loop time of 7.51019e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.25575614491694
+variable naccept equal ${increment}
+variable naccept equal 323
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.18878640571939
+variable        y0 equal ${yi}
+variable        y0 equal 5.5354710811873
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.23979663292276
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.5713402385016
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1227   -2.9871562   -2.2557561   -2.2557561 
+    1228   -2.9871562   -2.2557561   -2.2559413 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.25594125683808
+variable naccept equal ${increment}
+variable naccept equal 324
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 84
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.63794375538607
+variable        y0 equal ${yi}
+variable        y0 equal 8.371298693791
+
+set             atom $i x ${xnew}
+set             atom 84 x ${xnew}
+set             atom 84 x 1.70415016293307
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 84 y ${ynew}
+set             atom 84 y 8.44770802177486
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1228   -2.9871562   -2.2559413   -2.2559413 
+    1229   -2.9871562   -2.2559413   -2.2209577 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 84 x ${x0}
+set atom 84 x 1.63794375538607
+  1 settings made for x
+set atom $i y ${y0}
+set atom 84 y ${y0}
+set atom 84 y 8.371298693791
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.30100279251004
+variable        y0 equal ${yi}
+variable        y0 equal 7.47468527879977
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.22262982526685
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.47078178253436
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1229   -2.9871562   -2.2559413   -2.2209577 
+    1230   -2.9871562   -2.2559413   -2.1343966 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 91 x ${x0}
+set atom 91 x 5.30100279251004
+  1 settings made for x
+set atom $i y ${y0}
+set atom 91 y ${y0}
+set atom 91 y 7.47468527879977
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59001860499163
+variable        y0 equal ${yi}
+variable        y0 equal 4.68076303357049
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.68844104885836
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.64276124590798
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1230   -2.9871562   -2.2559413   -2.1343966 
+    1231   -2.9871562   -2.2559413   -2.2472425 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 44 x ${x0}
+set atom 44 x 1.59001860499163
+  1 settings made for x
+set atom $i y ${y0}
+set atom 44 y ${y0}
+set atom 44 y 4.68076303357049
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.33299971897813
+variable        y0 equal ${yi}
+variable        y0 equal 1.87642453095979
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.28738315184327
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.92619390866823
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1231   -2.9871562   -2.2559413   -2.2472425 
+    1232   -2.9871562   -2.2559413   -2.2581602 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.2581601871335
+variable naccept equal ${increment}
+variable naccept equal 325
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.23979663292276
+variable        y0 equal ${yi}
+variable        y0 equal 5.5713402385016
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.27958897987711
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.48568785135942
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1232   -2.9871562   -2.2581602   -2.2581602 
+    1233   -2.9871562   -2.2581602   -2.2189432 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 65 x ${x0}
+set atom 65 x 2.23979663292276
+  1 settings made for x
+set atom $i y ${y0}
+set atom 65 y ${y0}
+set atom 65 y 5.5713402385016
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 32
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.90086858232013
+variable        y0 equal ${yi}
+variable        y0 equal 2.85332814427712
+
+set             atom $i x ${xnew}
+set             atom 32 x ${xnew}
+set             atom 32 x 5.87586530406467
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 32 y ${ynew}
+set             atom 32 y 2.79271024438241
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1233   -2.9871562   -2.2581602   -2.2189432 
+    1234   -2.9871562   -2.2581602   -2.2567729 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 32 x ${x0}
+set atom 32 x 5.90086858232013
+  1 settings made for x
+set atom $i y ${y0}
+set atom 32 y ${y0}
+set atom 32 y 2.85332814427712
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.55546174207155
+variable        y0 equal ${yi}
+variable        y0 equal 5.67337435429292
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.51134479203646
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.72523403113084
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1234   -2.9871562   -2.2581602   -2.2567729 
+    1235   -2.9871562   -2.2581602   -2.2170226 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 77 x ${x0}
+set atom 77 x 8.55546174207155
+  1 settings made for x
+set atom $i y ${y0}
+set atom 77 y ${y0}
+set atom 77 y 5.67337435429292
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 9
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.31488733370514
+variable        y0 equal ${yi}
+variable        y0 equal 0.0164698362350535
+
+set             atom $i x ${xnew}
+set             atom 9 x ${xnew}
+set             atom 9 x 4.22231224854202
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 9 y ${ynew}
+set             atom 9 y -0.0545361280441213
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1235   -2.9871562   -2.2581602   -2.2170226 
+    1236   -2.9871562   -2.2581602   -2.2602417 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.26024174237713
+variable naccept equal ${increment}
+variable naccept equal 326
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 97
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.64328949609225
+variable        y0 equal ${yi}
+variable        y0 equal 7.40728055563236
+
+set             atom $i x ${xnew}
+set             atom 97 x ${xnew}
+set             atom 97 x 8.56475793281024
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 97 y ${ynew}
+set             atom 97 y 7.31500361290241
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1236   -2.9871562   -2.2602417   -2.2602417 
+    1237   -2.9871562   -2.2602417   -2.1419089 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 97 x ${x0}
+set atom 97 x 8.64328949609225
+  1 settings made for x
+set atom $i y ${y0}
+set atom 97 y ${y0}
+set atom 97 y 7.40728055563236
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.96819095888778
+variable        y0 equal ${yi}
+variable        y0 equal 2.85498608323434
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 6.99741536656066
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.91690255376199
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1237   -2.9871562   -2.2602417   -2.1419089 
+    1238   -2.9871562   -2.2602417   -2.2357591 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 34 x ${x0}
+set atom 34 x 6.96819095888778
+  1 settings made for x
+set atom $i y ${y0}
+set atom 34 y ${y0}
+set atom 34 y 2.85498608323434
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 73
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.42834627150613
+variable        y0 equal ${yi}
+variable        y0 equal 5.4691439980765
+
+set             atom $i x ${xnew}
+set             atom 73 x ${xnew}
+set             atom 73 x 6.41675959347802
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 73 y ${ynew}
+set             atom 73 y 5.38491784279543
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1238   -2.9871562   -2.2602417   -2.2357591 
+    1239   -2.9871562   -2.2602417   -2.1916454 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 73 x ${x0}
+set atom 73 x 6.42834627150613
+  1 settings made for x
+set atom $i y ${y0}
+set atom 73 y ${y0}
+set atom 73 y 5.4691439980765
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.9899615760564
+variable        y0 equal ${yi}
+variable        y0 equal 4.5907792245762
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 5.97210016210071
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.56270364874765
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1239   -2.9871562   -2.2602417   -2.1916454 
+    1240   -2.9871562   -2.2602417   -2.2481044 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 52 x ${x0}
+set atom 52 x 5.9899615760564
+  1 settings made for x
+set atom $i y ${y0}
+set atom 52 y ${y0}
+set atom 52 y 4.5907792245762
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 74
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.09398345032379
+variable        y0 equal ${yi}
+variable        y0 equal 6.52802731529703
+
+set             atom $i x ${xnew}
+set             atom 74 x ${xnew}
+set             atom 74 x 7.17512662687942
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 74 y ${ynew}
+set             atom 74 y 6.56038860813608
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1240   -2.9871562   -2.2602417   -2.2481044 
+    1241   -2.9871562   -2.2602417   -2.2080927 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 74 x ${x0}
+set atom 74 x 7.09398345032379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 74 y ${y0}
+set atom 74 y 6.52802731529703
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 26
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.67167732913923
+variable        y0 equal ${yi}
+variable        y0 equal 2.85737189027169
+
+set             atom $i x ${xnew}
+set             atom 26 x ${xnew}
+set             atom 26 x 2.73375411231947
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 26 y ${ynew}
+set             atom 26 y 2.86374088498452
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1241   -2.9871562   -2.2602417   -2.2080927 
+    1242   -2.9871562   -2.2602417   -2.2510678 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 26 x ${x0}
+set atom 26 x 2.67167732913923
+  1 settings made for x
+set atom $i y ${y0}
+set atom 26 y ${y0}
+set atom 26 y 2.85737189027169
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.85786454001552
+variable        y0 equal ${yi}
+variable        y0 equal 2.82388043376306
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.81670362273342
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.85977786752084
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1242   -2.9871562   -2.2602417   -2.2510678 
+    1243   -2.9871562   -2.2602417   -2.2641393 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.26413933369353
+variable naccept equal ${increment}
+variable naccept equal 327
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.24420675992527
+variable        y0 equal ${yi}
+variable        y0 equal 3.73567457957399
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.18212960719624
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.76855502886903
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1243   -2.9871562   -2.2641393   -2.2641393 
+    1244   -2.9871562   -2.2641393   -2.2516014 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 47 x ${x0}
+set atom 47 x 3.24420675992527
+  1 settings made for x
+set atom $i y ${y0}
+set atom 47 y ${y0}
+set atom 47 y 3.73567457957399
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59001860499163
+variable        y0 equal ${yi}
+variable        y0 equal 4.68076303357049
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.5284035909154
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.62692680710717
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1244   -2.9871562   -2.2641393   -2.2516014 
+    1245   -2.9871562   -2.2641393   -2.2390223 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 44 x ${x0}
+set atom 44 x 1.59001860499163
+  1 settings made for x
+set atom $i y ${y0}
+set atom 44 y ${y0}
+set atom 44 y 4.68076303357049
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 30
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.8951647126609
+variable        y0 equal ${yi}
+variable        y0 equal 2.85868977280953
+
+set             atom $i x ${xnew}
+set             atom 30 x ${xnew}
+set             atom 30 x 4.86332031130134
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 30 y ${ynew}
+set             atom 30 y 2.87644312354424
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1245   -2.9871562   -2.2641393   -2.2390223 
+    1246   -2.9871562   -2.2641393   -2.2627684 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 30 x ${x0}
+set atom 30 x 4.8951647126609
+  1 settings made for x
+set atom $i y ${y0}
+set atom 30 y ${y0}
+set atom 30 y 2.85868977280953
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 9
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.22231224854202
+variable        y0 equal ${yi}
+variable        y0 equal -0.0545361280441213
+
+set             atom $i x ${xnew}
+set             atom 9 x ${xnew}
+set             atom 9 x 4.19449908812256
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 9 y ${ynew}
+set             atom 9 y -0.136451959609978
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1246   -2.9871562   -2.2641393   -2.2627684 
+    1247   -2.9871562   -2.2641393   -2.2220546 
+Loop time of 8.39233e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 9 x ${x0}
+set atom 9 x 4.22231224854202
+  1 settings made for x
+set atom $i y ${y0}
+set atom 9 y ${y0}
+set atom 9 y -0.0545361280441213
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 39
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.48253180264112
+variable        y0 equal ${yi}
+variable        y0 equal 1.83061694285935
+
+set             atom $i x ${xnew}
+set             atom 39 x ${xnew}
+set             atom 39 x 9.45257457970258
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 39 y ${ynew}
+set             atom 39 y 1.92471433065003
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1247   -2.9871562   -2.2641393   -2.2220546 
+    1248   -2.9871562   -2.2641393   -2.1917339 
+Loop time of 7.79629e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 39 x ${x0}
+set atom 39 x 9.48253180264112
+  1 settings made for x
+set atom $i y ${y0}
+set atom 39 y ${y0}
+set atom 39 y 1.83061694285935
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.70410596330595
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.7235132967846
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1248   -2.9871562   -2.2641393   -2.1917339 
+    1249   -2.9871562   -2.2641393   -2.2516295 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 100
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1610254410764
+variable        y0 equal ${yi}
+variable        y0 equal 8.2609955064207
+
+set             atom $i x ${xnew}
+set             atom 100 x ${xnew}
+set             atom 100 x 10.1230198387166
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 100 y ${ynew}
+set             atom 100 y 8.20946265377101
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1249   -2.9871562   -2.2641393   -2.2516295 
+    1250   -2.9871562   -2.2641393   -2.2195672 
+Loop time of 0.0499039 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 100 x ${x0}
+set atom 100 x 10.1610254410764
+  1 settings made for x
+set atom $i y ${y0}
+set atom 100 y ${y0}
+set atom 100 y 8.2609955064207
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 32
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.90086858232013
+variable        y0 equal ${yi}
+variable        y0 equal 2.85332814427712
+
+set             atom $i x ${xnew}
+set             atom 32 x ${xnew}
+set             atom 32 x 5.84723316390506
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 32 y ${ynew}
+set             atom 32 y 2.7901114818702
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1250   -2.9871562   -2.2641393   -2.2195672 
+    1251   -2.9871562   -2.2641393   -2.2499573 
+Loop time of 4.69685e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 32 x ${x0}
+set atom 32 x 5.90086858232013
+  1 settings made for x
+set atom $i y ${y0}
+set atom 32 y ${y0}
+set atom 32 y 2.85332814427712
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.95025718807079
+variable        y0 equal ${yi}
+variable        y0 equal 0.949378951299518
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 7.97344384788372
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 0.881362481820911
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1251   -2.9871562   -2.2641393   -2.2499573 
+    1252   -2.9871562   -2.2641393   -2.2529527 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 16 x ${x0}
+set atom 16 x 7.95025718807079
+  1 settings made for x
+set atom $i y ${y0}
+set atom 16 y ${y0}
+set atom 16 y 0.949378951299518
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.56329734165441
+variable        y0 equal ${yi}
+variable        y0 equal 3.72885418696535
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.46856366235982
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.79739284081591
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1252   -2.9871562   -2.2641393   -2.2529527 
+    1253   -2.9871562   -2.2641393   -2.2018749 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 55 x ${x0}
+set atom 55 x 7.56329734165441
+  1 settings made for x
+set atom $i y ${y0}
+set atom 55 y ${y0}
+set atom 55 y 3.72885418696535
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 7
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.22492432355444
+variable        y0 equal ${yi}
+variable        y0 equal 0.0240613460540867
+
+set             atom $i x ${xnew}
+set             atom 7 x ${xnew}
+set             atom 7 x 3.16117138623755
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 7 y ${ynew}
+set             atom 7 y 0.0532149553299046
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1253   -2.9871562   -2.2641393   -2.2018749 
+    1254   -2.9871562   -2.2641393   -2.2607188 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 7 x ${x0}
+set atom 7 x 3.22492432355444
+  1 settings made for x
+set atom $i y ${y0}
+set atom 7 y ${y0}
+set atom 7 y 0.0240613460540867
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 73
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.42834627150613
+variable        y0 equal ${yi}
+variable        y0 equal 5.4691439980765
+
+set             atom $i x ${xnew}
+set             atom 73 x ${xnew}
+set             atom 73 x 6.42781027077752
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 73 y ${ynew}
+set             atom 73 y 5.37894008104998
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1254   -2.9871562   -2.2641393   -2.2607188 
+    1255   -2.9871562   -2.2641393   -2.1949611 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 73 x ${x0}
+set atom 73 x 6.42834627150613
+  1 settings made for x
+set atom $i y ${y0}
+set atom 73 y ${y0}
+set atom 73 y 5.4691439980765
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 86
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.71264111001922
+variable        y0 equal ${yi}
+variable        y0 equal 8.37165092147884
+
+set             atom $i x ${xnew}
+set             atom 86 x ${xnew}
+set             atom 86 x 2.79288068016006
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 86 y ${ynew}
+set             atom 86 y 8.41447931446132
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1255   -2.9871562   -2.2641393   -2.1949611 
+    1256   -2.9871562   -2.2641393   -2.2486792 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 86 x ${x0}
+set atom 86 x 2.71264111001922
+  1 settings made for x
+set atom $i y ${y0}
+set atom 86 y ${y0}
+set atom 86 y 8.37165092147884
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 36
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.03611046670772
+variable        y0 equal ${yi}
+variable        y0 equal 2.66520280810693
+
+set             atom $i x ${xnew}
+set             atom 36 x ${xnew}
+set             atom 36 x 8.12319112418987
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 36 y ${ynew}
+set             atom 36 y 2.56672639819482
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1256   -2.9871562   -2.2641393   -2.2486792 
+    1257   -2.9871562   -2.2641393   -2.0638579 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 36 x ${x0}
+set atom 36 x 8.03611046670772
+  1 settings made for x
+set atom $i y ${y0}
+set atom 36 y ${y0}
+set atom 36 y 2.66520280810693
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.40156468867379
+variable        y0 equal ${yi}
+variable        y0 equal 0.00304889678955437
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.30656300305444
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y 0.0413601040840185
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1257   -2.9871562   -2.2641393   -2.0638579 
+    1258   -2.9871562   -2.2641393   -2.2329803 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 13 x ${x0}
+set atom 13 x 6.40156468867379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 13 y ${y0}
+set atom 13 y 0.00304889678955437
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.4157506708166
+variable        y0 equal ${yi}
+variable        y0 equal 6.43439372316829
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.4462064150831
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.52069752947322
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1258   -2.9871562   -2.2641393   -2.2329803 
+    1259   -2.9871562   -2.2641393   -2.2259028 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 80 x ${x0}
+set atom 80 x 10.4157506708166
+  1 settings made for x
+set atom $i y ${y0}
+set atom 80 y ${y0}
+set atom 80 y 6.43439372316829
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.07315314093276
+variable        y0 equal ${yi}
+variable        y0 equal 4.61574550026819
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 7.01434378901168
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.64195888394281
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1259   -2.9871562   -2.2641393   -2.2259028 
+    1260   -2.9871562   -2.2641393   -2.2627331 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.07315314093276
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.61574550026819
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59001860499163
+variable        y0 equal ${yi}
+variable        y0 equal 4.68076303357049
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.49514547467013
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.74509135836526
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1260   -2.9871562   -2.2641393   -2.2627331 
+    1261   -2.9871562   -2.2641393   -2.2304731 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 44 x ${x0}
+set atom 44 x 1.59001860499163
+  1 settings made for x
+set atom $i y ${y0}
+set atom 44 y ${y0}
+set atom 44 y 4.68076303357049
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.23979663292276
+variable        y0 equal ${yi}
+variable        y0 equal 5.5713402385016
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.24681302944528
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.64284211342531
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1261   -2.9871562   -2.2641393   -2.2304731 
+    1262   -2.9871562   -2.2641393   -2.2499629 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 65 x ${x0}
+set atom 65 x 2.23979663292276
+  1 settings made for x
+set atom $i y ${y0}
+set atom 65 y ${y0}
+set atom 65 y 5.5713402385016
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.40156468867379
+variable        y0 equal ${yi}
+variable        y0 equal 0.00304889678955437
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.44702336310464
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y 0.0539503574371374
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1262   -2.9871562   -2.2641393   -2.2499629 
+    1263   -2.9871562   -2.2641393   -2.2564851 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 13 x ${x0}
+set atom 13 x 6.40156468867379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 13 y ${y0}
+set atom 13 y 0.00304889678955437
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.28738315184327
+variable        y0 equal ${yi}
+variable        y0 equal 1.92619390866823
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.26792713482591
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 2.01969408176012
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1263   -2.9871562   -2.2641393   -2.2564851 
+    1264   -2.9871562   -2.2641393   -2.2371548 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.28738315184327
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.92619390866823
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 98
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.16308992821724
+variable        y0 equal ${yi}
+variable        y0 equal 8.28462620891627
+
+set             atom $i x ${xnew}
+set             atom 98 x ${xnew}
+set             atom 98 x 9.24388344008476
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 98 y ${ynew}
+set             atom 98 y 8.37938709177073
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1264   -2.9871562   -2.2641393   -2.2371548 
+    1265   -2.9871562   -2.2641393   -2.2342051 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 98 x ${x0}
+set atom 98 x 9.16308992821724
+  1 settings made for x
+set atom $i y ${y0}
+set atom 98 y ${y0}
+set atom 98 y 8.28462620891627
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.4157506708166
+variable        y0 equal ${yi}
+variable        y0 equal 6.43439372316829
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.4859660152456
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.38132144943706
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1265   -2.9871562   -2.2641393   -2.2342051 
+    1266   -2.9871562   -2.2641393   -2.2041796 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 80 x ${x0}
+set atom 80 x 10.4157506708166
+  1 settings made for x
+set atom $i y ${y0}
+set atom 80 y ${y0}
+set atom 80 y 6.43439372316829
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.9899615760564
+variable        y0 equal ${yi}
+variable        y0 equal 4.5907792245762
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 6.004888450694
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.58078075999185
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1266   -2.9871562   -2.2641393   -2.2041796 
+    1267   -2.9871562   -2.2641393   -2.2604667 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 52 x ${x0}
+set atom 52 x 5.9899615760564
+  1 settings made for x
+set atom $i y ${y0}
+set atom 52 y ${y0}
+set atom 52 y 4.5907792245762
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.95025718807079
+variable        y0 equal ${yi}
+variable        y0 equal 0.949378951299518
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 7.87421489356853
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 0.97682250331673
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1267   -2.9871562   -2.2641393   -2.2604667 
+    1268   -2.9871562   -2.2641393   -2.2588769 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 16 x ${x0}
+set atom 16 x 7.95025718807079
+  1 settings made for x
+set atom $i y ${y0}
+set atom 16 y ${y0}
+set atom 16 y 0.949378951299518
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 82
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.44764589826193
+variable        y0 equal ${yi}
+variable        y0 equal 8.32563534893091
+
+set             atom $i x ${xnew}
+set             atom 82 x ${xnew}
+set             atom 82 x 0.353593810001279
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 82 y ${ynew}
+set             atom 82 y 8.35459135688837
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1268   -2.9871562   -2.2641393   -2.2588769 
+    1269   -2.9871562   -2.2641393     -2.22389 
+Loop time of 4.3869e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 82 x ${x0}
+set atom 82 x 0.44764589826193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 82 y ${y0}
+set atom 82 y 8.32563534893091
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 76
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.12744101880885
+variable        y0 equal ${yi}
+variable        y0 equal 6.56631985441675
+
+set             atom $i x ${xnew}
+set             atom 76 x ${xnew}
+set             atom 76 x 8.12733483909465
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 76 y ${ynew}
+set             atom 76 y 6.48814352289667
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1269   -2.9871562   -2.2641393     -2.22389 
+    1270   -2.9871562   -2.2641393   -2.2332934 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 76 x ${x0}
+set atom 76 x 8.12744101880885
+  1 settings made for x
+set atom $i y ${y0}
+set atom 76 y ${y0}
+set atom 76 y 6.56631985441675
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 26
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.67167732913923
+variable        y0 equal ${yi}
+variable        y0 equal 2.85737189027169
+
+set             atom $i x ${xnew}
+set             atom 26 x ${xnew}
+set             atom 26 x 2.69710961778593
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 26 y ${ynew}
+set             atom 26 y 2.90977098914483
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1270   -2.9871562   -2.2641393   -2.2332934 
+    1271   -2.9871562   -2.2641393   -2.2536615 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 26 x ${x0}
+set atom 26 x 2.67167732913923
+  1 settings made for x
+set atom $i y ${y0}
+set atom 26 y ${y0}
+set atom 26 y 2.85737189027169
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 9
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.22231224854202
+variable        y0 equal ${yi}
+variable        y0 equal 9.25151246297687
+
+set             atom $i x ${xnew}
+set             atom 9 x ${xnew}
+set             atom 9 x 4.24272296507568
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 9 y ${ynew}
+set             atom 9 y 9.33166872966618
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1271   -2.9871562   -2.2641393   -2.2536615 
+    1272   -2.9871562   -2.2641393   -2.2717369 
+Loop time of 0.0186079 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.27173693607433
+variable naccept equal ${increment}
+variable naccept equal 328
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 42
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.463221640983487
+variable        y0 equal ${yi}
+variable        y0 equal 4.61717816943094
+
+set             atom $i x ${xnew}
+set             atom 42 x ${xnew}
+set             atom 42 x 0.555552907386685
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 42 y ${ynew}
+set             atom 42 y 4.67760973328516
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1272   -2.9871562   -2.2717369   -2.2717369 
+    1273   -2.9871562   -2.2717369   -2.2535963 
+Loop time of 4.60148e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 42 x ${x0}
+set atom 42 x 0.463221640983487
+  1 settings made for x
+set atom $i y ${y0}
+set atom 42 y ${y0}
+set atom 42 y 4.61717816943094
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 99
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.7112571763861
+variable        y0 equal ${yi}
+variable        y0 equal 7.38156818475986
+
+set             atom $i x ${xnew}
+set             atom 99 x ${xnew}
+set             atom 99 x 9.65546179293273
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 99 y ${ynew}
+set             atom 99 y 7.35153057899738
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1273   -2.9871562   -2.2717369   -2.2535963 
+    1274   -2.9871562   -2.2717369   -2.2611035 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 99 x ${x0}
+set atom 99 x 9.7112571763861
+  1 settings made for x
+set atom $i y ${y0}
+set atom 99 y ${y0}
+set atom 99 y 7.38156818475986
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 7
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.22492432355444
+variable        y0 equal ${yi}
+variable        y0 equal 0.0240613460540867
+
+set             atom $i x ${xnew}
+set             atom 7 x ${xnew}
+set             atom 7 x 3.29113070725958
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 7 y ${ynew}
+set             atom 7 y 0.079921960830698
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1274   -2.9871562   -2.2717369   -2.2611035 
+    1275   -2.9871562   -2.2717369    -2.239209 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 7 x ${x0}
+set atom 7 x 3.22492432355444
+  1 settings made for x
+set atom $i y ${y0}
+set atom 7 y ${y0}
+set atom 7 y 0.0240613460540867
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 62
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.654104717174436
+variable        y0 equal ${yi}
+variable        y0 equal 6.49111358658304
+
+set             atom $i x ${xnew}
+set             atom 62 x ${xnew}
+set             atom 62 x 0.668957848945524
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 62 y ${ynew}
+set             atom 62 y 6.54954484240045
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1275   -2.9871562   -2.2717369    -2.239209 
+    1276   -2.9871562   -2.2717369   -2.2709818 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 62 x ${x0}
+set atom 62 x 0.654104717174436
+  1 settings made for x
+set atom $i y ${y0}
+set atom 62 y ${y0}
+set atom 62 y 6.49111358658304
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 24
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.58530928969164
+variable        y0 equal ${yi}
+variable        y0 equal 2.75449854108194
+
+set             atom $i x ${xnew}
+set             atom 24 x ${xnew}
+set             atom 24 x 1.60449333071489
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 24 y ${ynew}
+set             atom 24 y 2.72373769255975
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1276   -2.9871562   -2.2717369   -2.2709818 
+    1277   -2.9871562   -2.2717369   -2.2673763 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 24 x ${x0}
+set atom 24 x 1.58530928969164
+  1 settings made for x
+set atom $i y ${y0}
+set atom 24 y ${y0}
+set atom 24 y 2.75449854108194
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 74
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.09398345032379
+variable        y0 equal ${yi}
+variable        y0 equal 6.52802731529703
+
+set             atom $i x ${xnew}
+set             atom 74 x ${xnew}
+set             atom 74 x 7.16015227118179
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 74 y ${ynew}
+set             atom 74 y 6.57964161173334
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1277   -2.9871562   -2.2717369   -2.2673763 
+    1278   -2.9871562   -2.2717369   -2.2223975 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 74 x ${x0}
+set atom 74 x 7.09398345032379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 74 y ${y0}
+set atom 74 y 6.52802731529703
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.81688043712911
+variable        y0 equal ${yi}
+variable        y0 equal 8.38843538679179
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.84117488502797
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.43593072809275
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1278   -2.9871562   -2.2717369   -2.2223975 
+    1279   -2.9871562   -2.2717369    -2.266731 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 90 x ${x0}
+set atom 90 x 4.81688043712911
+  1 settings made for x
+set atom $i y ${y0}
+set atom 90 y ${y0}
+set atom 90 y 8.38843538679179
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80759401837473
+variable        y0 equal ${yi}
+variable        y0 equal 4.6440585290806
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.89878665724878
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.71860878819391
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1279   -2.9871562   -2.2717369    -2.266731 
+    1280   -2.9871562   -2.2717369   -2.2357622 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 48 x ${x0}
+set atom 48 x 3.80759401837473
+  1 settings made for x
+set atom $i y ${y0}
+set atom 48 y ${y0}
+set atom 48 y 4.6440585290806
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.11815181096249
+variable        y0 equal ${yi}
+variable        y0 equal 7.44427507248187
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.15799492915326
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.40699431028628
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1280   -2.9871562   -2.2717369   -2.2357622 
+    1281   -2.9871562   -2.2717369   -2.2648321 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.11815181096249
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.44427507248187
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.23979663292276
+variable        y0 equal ${yi}
+variable        y0 equal 5.5713402385016
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.19356538692819
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.60187159722047
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1281   -2.9871562   -2.2717369   -2.2648321 
+    1282   -2.9871562   -2.2717369   -2.2686995 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 65 x ${x0}
+set atom 65 x 2.23979663292276
+  1 settings made for x
+set atom $i y ${y0}
+set atom 65 y ${y0}
+set atom 65 y 5.5713402385016
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.28738315184327
+variable        y0 equal ${yi}
+variable        y0 equal 1.92619390866823
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.38456106264802
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.93375323197908
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1282   -2.9871562   -2.2717369   -2.2686995 
+    1283   -2.9871562   -2.2717369   -2.2296709 
+Loop time of 7.60555e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.28738315184327
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.92619390866823
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.96819095888778
+variable        y0 equal ${yi}
+variable        y0 equal 2.85498608323434
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 6.98549635687515
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.82734158011773
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1283   -2.9871562   -2.2717369   -2.2296709 
+    1284   -2.9871562   -2.2717369   -2.2756356 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.27563563176765
+variable naccept equal ${increment}
+variable naccept equal 329
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 27
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.19226642608205
+variable        y0 equal ${yi}
+variable        y0 equal 1.99900682351654
+
+set             atom $i x ${xnew}
+set             atom 27 x ${xnew}
+set             atom 27 x 3.13038978337804
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 27 y ${ynew}
+set             atom 27 y 2.09338196895187
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1284   -2.9871562   -2.2756356   -2.2756356 
+    1285   -2.9871562   -2.2756356   -2.1814199 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 27 x ${x0}
+set atom 27 x 3.19226642608205
+  1 settings made for x
+set atom $i y ${y0}
+set atom 27 y ${y0}
+set atom 27 y 1.99900682351654
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 36
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.03611046670772
+variable        y0 equal ${yi}
+variable        y0 equal 2.66520280810693
+
+set             atom $i x ${xnew}
+set             atom 36 x ${xnew}
+set             atom 36 x 8.11225927471019
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 36 y ${ynew}
+set             atom 36 y 2.65674114199975
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1285   -2.9871562   -2.2756356   -2.1814199 
+    1286   -2.9871562   -2.2756356   -2.2440216 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 36 x ${x0}
+set atom 36 x 8.03611046670772
+  1 settings made for x
+set atom $i y ${y0}
+set atom 36 y ${y0}
+set atom 36 y 2.66520280810693
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.81670362273342
+variable        y0 equal ${yi}
+variable        y0 equal 2.85977786752084
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.76299114743358
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.89569638940194
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1286   -2.9871562   -2.2756356   -2.2440216 
+    1287   -2.9871562   -2.2756356   -2.2672045 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.81670362273342
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.85977786752084
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 32
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.90086858232013
+variable        y0 equal ${yi}
+variable        y0 equal 2.85332814427712
+
+set             atom $i x ${xnew}
+set             atom 32 x ${xnew}
+set             atom 32 x 5.98887722451679
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 32 y ${ynew}
+set             atom 32 y 2.78271263810494
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1287   -2.9871562   -2.2756356   -2.2672045 
+    1288   -2.9871562   -2.2756356   -2.2573607 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 32 x ${x0}
+set atom 32 x 5.90086858232013
+  1 settings made for x
+set atom $i y ${y0}
+set atom 32 y ${y0}
+set atom 32 y 2.85332814427712
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.41357705671998
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.57711692993838
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1288   -2.9871562   -2.2756356   -2.2573607 
+    1289   -2.9871562   -2.2756356   -2.2633047 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.54407576480333
+variable        y0 equal ${yi}
+variable        y0 equal 3.66106940074097
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.62332644620363
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.71625846190583
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1289   -2.9871562   -2.2756356   -2.2633047 
+    1290   -2.9871562   -2.2756356   -2.2474629 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 57 x ${x0}
+set atom 57 x 8.54407576480333
+  1 settings made for x
+set atom $i y ${y0}
+set atom 57 y ${y0}
+set atom 57 y 3.66106940074097
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6111590226346
+variable        y0 equal ${yi}
+variable        y0 equal 9.22944378364413
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x 10.6341897566968
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 9.13043157565921
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1290   -2.9871562   -2.2756356   -2.2474629 
+    1291   -2.9871562   -2.2756356    -2.251131 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 1 x ${x0}
+set atom 1 x 10.6111590226346
+  1 settings made for x
+set atom $i y ${y0}
+set atom 1 y ${y0}
+set atom 1 y 9.22944378364413
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 67
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.31808795690099
+variable        y0 equal ${yi}
+variable        y0 equal 5.6091846699019
+
+set             atom $i x ${xnew}
+set             atom 67 x ${xnew}
+set             atom 67 x 3.34463325500051
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 67 y ${ynew}
+set             atom 67 y 5.68058136646944
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1291   -2.9871562   -2.2756356    -2.251131 
+    1292   -2.9871562   -2.2756356    -2.237313 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 67 x ${x0}
+set atom 67 x 3.31808795690099
+  1 settings made for x
+set atom $i y ${y0}
+set atom 67 y ${y0}
+set atom 67 y 5.6091846699019
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0669886708259583
+variable        y0 equal ${yi}
+variable        y0 equal 1.86074338338441
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x 0.0228117227554322
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 1.82412650964326
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1292   -2.9871562   -2.2756356    -2.237313 
+    1293   -2.9871562   -2.2756356   -2.2822732 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.28227321485435
+variable naccept equal ${increment}
+variable naccept equal 330
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 67
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.31808795690099
+variable        y0 equal ${yi}
+variable        y0 equal 5.6091846699019
+
+set             atom $i x ${xnew}
+set             atom 67 x ${xnew}
+set             atom 67 x 3.2683337902979
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 67 y ${ynew}
+set             atom 67 y 5.51339185183244
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1293   -2.9871562   -2.2822732   -2.2822732 
+    1294   -2.9871562   -2.2822732   -2.2727613 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 67 x ${x0}
+set atom 67 x 3.31808795690099
+  1 settings made for x
+set atom $i y ${y0}
+set atom 67 y ${y0}
+set atom 67 y 5.6091846699019
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 95
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.50331240732442
+variable        y0 equal ${yi}
+variable        y0 equal 7.44483136263156
+
+set             atom $i x ${xnew}
+set             atom 95 x ${xnew}
+set             atom 95 x 7.55135737497579
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 95 y ${ynew}
+set             atom 95 y 7.42239182319903
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1294   -2.9871562   -2.2822732   -2.2727613 
+    1295   -2.9871562   -2.2822732   -2.2793412 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 95 x ${x0}
+set atom 95 x 7.50331240732442
+  1 settings made for x
+set atom $i y ${y0}
+set atom 95 y ${y0}
+set atom 95 y 7.44483136263156
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.07584694067344
+variable        y0 equal ${yi}
+variable        y0 equal 0.00976005792616981
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 2.0109177056919
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y 0.0753347158431925
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1295   -2.9871562   -2.2822732   -2.2793412 
+    1296   -2.9871562   -2.2822732   -2.2641009 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 5 x ${x0}
+set atom 5 x 2.07584694067344
+  1 settings made for x
+set atom $i y ${y0}
+set atom 5 y ${y0}
+set atom 5 y 0.00976005792616981
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 23
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.07343188841992
+variable        y0 equal ${yi}
+variable        y0 equal 1.85961672446793
+
+set             atom $i x ${xnew}
+set             atom 23 x ${xnew}
+set             atom 23 x 1.03936474641018
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 23 y ${ynew}
+set             atom 23 y 1.84491819522446
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1296   -2.9871562   -2.2822732   -2.2641009 
+    1297   -2.9871562   -2.2822732    -2.279413 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 23 x ${x0}
+set atom 23 x 1.07343188841992
+  1 settings made for x
+set atom $i y ${y0}
+set atom 23 y ${y0}
+set atom 23 y 1.85961672446793
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.98549635687515
+variable        y0 equal ${yi}
+variable        y0 equal 2.82734158011773
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 7.00102844515487
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.85936198207238
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1297   -2.9871562   -2.2822732    -2.279413 
+    1298   -2.9871562   -2.2822732   -2.2780604 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 34 x ${x0}
+set atom 34 x 6.98549635687515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 34 y ${y0}
+set atom 34 y 2.82734158011773
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1789412740728
+variable        y0 equal ${yi}
+variable        y0 equal 2.78276804658273
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.2554411295911
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.86663255664209
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1298   -2.9871562   -2.2822732   -2.2780604 
+    1299   -2.9871562   -2.2822732    -2.261393 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.1789412740728
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.78276804658273
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 60
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1148146752378
+variable        y0 equal ${yi}
+variable        y0 equal 4.54698911065027
+
+set             atom $i x ${xnew}
+set             atom 60 x ${xnew}
+set             atom 60 x 10.0769700292608
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 60 y ${ynew}
+set             atom 60 y 4.46781528347894
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1299   -2.9871562   -2.2822732    -2.261393 
+    1300   -2.9871562   -2.2822732   -2.2513418 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 60 x ${x0}
+set atom 60 x 10.1148146752378
+  1 settings made for x
+set atom $i y ${y0}
+set atom 60 y ${y0}
+set atom 60 y 4.54698911065027
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 32
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.90086858232013
+variable        y0 equal ${yi}
+variable        y0 equal 2.85332814427712
+
+set             atom $i x ${xnew}
+set             atom 32 x ${xnew}
+set             atom 32 x 5.85657691915027
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 32 y ${ynew}
+set             atom 32 y 2.76269737454751
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1300   -2.9871562   -2.2822732   -2.2513418 
+    1301   -2.9871562   -2.2822732   -2.2658279 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 32 x ${x0}
+set atom 32 x 5.90086858232013
+  1 settings made for x
+set atom $i y ${y0}
+set atom 32 y ${y0}
+set atom 32 y 2.85332814427712
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.87741336464225
+variable        y0 equal ${yi}
+variable        y0 equal 6.4556893421792
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.888635989421
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.38686565891733
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1301   -2.9871562   -2.2822732   -2.2658279 
+    1302   -2.9871562   -2.2822732    -2.266989 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 4.87741336464225
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.4556893421792
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 43
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.15410325844937
+variable        y0 equal ${yi}
+variable        y0 equal 3.75003771348131
+
+set             atom $i x ${xnew}
+set             atom 43 x ${xnew}
+set             atom 43 x 1.15774170478039
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 43 y ${ynew}
+set             atom 43 y 3.6504227356447
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1302   -2.9871562   -2.2822732    -2.266989 
+    1303   -2.9871562   -2.2822732    -2.274436 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 43 x ${x0}
+set atom 43 x 1.15410325844937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 43 y ${y0}
+set atom 43 y 3.75003771348131
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 42
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.463221640983487
+variable        y0 equal ${yi}
+variable        y0 equal 4.61717816943094
+
+set             atom $i x ${xnew}
+set             atom 42 x ${xnew}
+set             atom 42 x 0.406589694419766
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 42 y ${ynew}
+set             atom 42 y 4.59818894022867
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1303   -2.9871562   -2.2822732    -2.274436 
+    1304   -2.9871562   -2.2822732   -2.2672822 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 42 x ${x0}
+set atom 42 x 0.463221640983487
+  1 settings made for x
+set atom $i y ${y0}
+set atom 42 y ${y0}
+set atom 42 y 4.61717816943094
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.64134974360247
+variable        y0 equal ${yi}
+variable        y0 equal 0.972303231466143
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.74028330921908
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 0.938222130048601
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1304   -2.9871562   -2.2822732   -2.2672822 
+    1305   -2.9871562   -2.2822732   -2.2438255 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 4 x ${x0}
+set atom 4 x 1.64134974360247
+  1 settings made for x
+set atom $i y ${y0}
+set atom 4 y ${y0}
+set atom 4 y 0.972303231466143
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 7
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.22492432355444
+variable        y0 equal ${yi}
+variable        y0 equal 0.0240613460540867
+
+set             atom $i x ${xnew}
+set             atom 7 x ${xnew}
+set             atom 7 x 3.15623999595205
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 7 y ${ynew}
+set             atom 7 y 0.0371743679046726
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1305   -2.9871562   -2.2822732   -2.2438255 
+    1306   -2.9871562   -2.2822732   -2.2792508 
+Loop time of 4.69685e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 7 x ${x0}
+set atom 7 x 3.22492432355444
+  1 settings made for x
+set atom $i y ${y0}
+set atom 7 y ${y0}
+set atom 7 y 0.0240613460540867
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 24
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.58530928969164
+variable        y0 equal ${yi}
+variable        y0 equal 2.75449854108194
+
+set             atom $i x ${xnew}
+set             atom 24 x ${xnew}
+set             atom 24 x 1.5379639852025
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 24 y ${ynew}
+set             atom 24 y 2.74500366422037
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1306   -2.9871562   -2.2822732   -2.2792508 
+    1307   -2.9871562   -2.2822732   -2.2683027 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 24 x ${x0}
+set atom 24 x 1.58530928969164
+  1 settings made for x
+set atom $i y ${y0}
+set atom 24 y ${y0}
+set atom 24 y 2.75449854108194
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.54351456640837
+variable        y0 equal ${yi}
+variable        y0 equal 3.68936000628603
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.59699419020292
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.76374191804064
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1307   -2.9871562   -2.2822732   -2.2683027 
+    1308   -2.9871562   -2.2822732   -2.2643416 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 59 x ${x0}
+set atom 59 x 9.54351456640837
+  1 settings made for x
+set atom $i y ${y0}
+set atom 59 y ${y0}
+set atom 59 y 3.68936000628603
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 66
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.78488953311874
+variable        y0 equal ${yi}
+variable        y0 equal 6.49416505829325
+
+set             atom $i x ${xnew}
+set             atom 66 x ${xnew}
+set             atom 66 x 2.82492748697235
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 66 y ${ynew}
+set             atom 66 y 6.41313125626078
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1308   -2.9871562   -2.2822732   -2.2643416 
+    1309   -2.9871562   -2.2822732   -2.2453757 
+Loop time of 3.88622e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 66 x ${x0}
+set atom 66 x 2.78488953311874
+  1 settings made for x
+set atom $i y ${y0}
+set atom 66 y ${y0}
+set atom 66 y 6.49416505829325
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 8
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.65691963950282
+variable        y0 equal ${yi}
+variable        y0 equal 1.01446969102654
+
+set             atom $i x ${xnew}
+set             atom 8 x ${xnew}
+set             atom 8 x 3.72333437720424
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 8 y ${ynew}
+set             atom 8 y 1.06102300475869
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1309   -2.9871562   -2.2822732   -2.2453757 
+    1310   -2.9871562   -2.2822732   -2.2942274 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.29422744234244
+variable naccept equal ${increment}
+variable naccept equal 331
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 12
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.85675258595935
+variable        y0 equal ${yi}
+variable        y0 equal 0.888840575921863
+
+set             atom $i x ${xnew}
+set             atom 12 x ${xnew}
+set             atom 12 x 5.91721756417743
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 12 y ${ynew}
+set             atom 12 y 0.936519785631031
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1310   -2.9871562   -2.2942274   -2.2942274 
+    1311   -2.9871562   -2.2942274   -2.2862647 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 12 x ${x0}
+set atom 12 x 5.85675258595935
+  1 settings made for x
+set atom $i y ${y0}
+set atom 12 y ${y0}
+set atom 12 y 0.888840575921863
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.19388546387063
+variable        y0 equal ${yi}
+variable        y0 equal 3.77270575328004
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.13935003916131
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.69000889821183
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1311   -2.9871562   -2.2942274   -2.2862647 
+    1312   -2.9871562   -2.2942274   -2.2796391 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 45 x ${x0}
+set atom 45 x 2.19388546387063
+  1 settings made for x
+set atom $i y ${y0}
+set atom 45 y ${y0}
+set atom 45 y 3.77270575328004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.08689599949867
+variable        y0 equal ${yi}
+variable        y0 equal 4.81755102032586
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 9.09878719765693
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.90624204033776
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1312   -2.9871562   -2.2942274   -2.2796391 
+    1313   -2.9871562   -2.2942274   -2.2632256 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 58 x ${x0}
+set atom 58 x 9.08689599949867
+  1 settings made for x
+set atom $i y ${y0}
+set atom 58 y ${y0}
+set atom 58 y 4.81755102032586
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 26
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.67167732913923
+variable        y0 equal ${yi}
+variable        y0 equal 2.85737189027169
+
+set             atom $i x ${xnew}
+set             atom 26 x ${xnew}
+set             atom 26 x 2.65343800981474
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 26 y ${ynew}
+set             atom 26 y 2.85940663787225
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1313   -2.9871562   -2.2942274   -2.2632256 
+    1314   -2.9871562   -2.2942274   -2.2948613 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.29486133534463
+variable naccept equal ${increment}
+variable naccept equal 332
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.23979663292276
+variable        y0 equal ${yi}
+variable        y0 equal 5.5713402385016
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.14353287855493
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.64033788387971
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1314   -2.9871562   -2.2948613   -2.2948613 
+    1315   -2.9871562   -2.2948613   -2.2635171 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 65 x ${x0}
+set atom 65 x 2.23979663292276
+  1 settings made for x
+set atom $i y ${y0}
+set atom 65 y ${y0}
+set atom 65 y 5.5713402385016
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.4157506708166
+variable        y0 equal ${yi}
+variable        y0 equal 6.43439372316829
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.4508614067098
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.47271387115947
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1315   -2.9871562   -2.2948613   -2.2635171 
+    1316   -2.9871562   -2.2948613   -2.2756855 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 80 x ${x0}
+set atom 80 x 10.4157506708166
+  1 settings made for x
+set atom $i y ${y0}
+set atom 80 y ${y0}
+set atom 80 y 6.43439372316829
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 78
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.15111655909569
+variable        y0 equal ${yi}
+variable        y0 equal 6.52915453449718
+
+set             atom $i x ${xnew}
+set             atom 78 x ${xnew}
+set             atom 78 x 9.07085164505989
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 78 y ${ynew}
+set             atom 78 y 6.56651134029857
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1316   -2.9871562   -2.2948613   -2.2756855 
+    1317   -2.9871562   -2.2948613   -2.2504798 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 78 x ${x0}
+set atom 78 x 9.15111655909569
+  1 settings made for x
+set atom $i y ${y0}
+set atom 78 y ${y0}
+set atom 78 y 6.52915453449718
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.545649071136379
+variable        y0 equal ${yi}
+variable        y0 equal 2.77431966039041
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.515064092079067
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.72008755179742
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1317   -2.9871562   -2.2948613   -2.2504798 
+    1318   -2.9871562   -2.2948613   -2.2918799 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.545649071136379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.77431966039041
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.11236243842937
+variable        y0 equal ${yi}
+variable        y0 equal 8.24853718198832
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.06756101249553
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.34520264782008
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1318   -2.9871562   -2.2948613   -2.2918799 
+    1319   -2.9871562   -2.2948613   -2.2928042 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.11236243842937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.24853718198832
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 36
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.03611046670772
+variable        y0 equal ${yi}
+variable        y0 equal 2.66520280810693
+
+set             atom $i x ${xnew}
+set             atom 36 x ${xnew}
+set             atom 36 x 8.07257722019054
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 36 y ${ynew}
+set             atom 36 y 2.58518868657449
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1319   -2.9871562   -2.2948613   -2.2928042 
+    1320   -2.9871562   -2.2948613   -2.2035118 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 36 x ${x0}
+set atom 36 x 8.03611046670772
+  1 settings made for x
+set atom $i y ${y0}
+set atom 36 y ${y0}
+set atom 36 y 2.66520280810693
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.81670362273342
+variable        y0 equal ${yi}
+variable        y0 equal 2.85977786752084
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.87336637297756
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.82785153361657
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1320   -2.9871562   -2.2948613   -2.2035118 
+    1321   -2.9871562   -2.2948613   -2.2834654 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.81670362273342
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.85977786752084
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1789412740728
+variable        y0 equal ${yi}
+variable        y0 equal 2.78276804658273
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.2378794554731
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.68553432198861
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1321   -2.9871562   -2.2948613   -2.2834654 
+    1322   -2.9871562   -2.2948613   -2.2854858 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.1789412740728
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.78276804658273
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.81688043712911
+variable        y0 equal ${yi}
+variable        y0 equal 8.38843538679179
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.7778526389533
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.34849696077403
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1322   -2.9871562   -2.2948613   -2.2854858 
+    1323   -2.9871562   -2.2948613   -2.2858028 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 90 x ${x0}
+set atom 90 x 4.81688043712911
+  1 settings made for x
+set atom $i y ${y0}
+set atom 90 y ${y0}
+set atom 90 y 8.38843538679179
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31064851680662
+variable        y0 equal ${yi}
+variable        y0 equal 1.91864991567201
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.25820756355192
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 1.95044969699449
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1323   -2.9871562   -2.2948613   -2.2858028 
+    1324   -2.9871562   -2.2948613   -2.2717061 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 31 x ${x0}
+set atom 31 x 5.31064851680662
+  1 settings made for x
+set atom $i y ${y0}
+set atom 31 y ${y0}
+set atom 31 y 1.91864991567201
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 27
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.19226642608205
+variable        y0 equal ${yi}
+variable        y0 equal 1.99900682351654
+
+set             atom $i x ${xnew}
+set             atom 27 x ${xnew}
+set             atom 27 x 3.14494195937673
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 27 y ${ynew}
+set             atom 27 y 1.98286965272491
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1324   -2.9871562   -2.2948613   -2.2717061 
+    1325   -2.9871562   -2.2948613   -2.2848418 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 27 x ${x0}
+set atom 27 x 3.19226642608205
+  1 settings made for x
+set atom $i y ${y0}
+set atom 27 y ${y0}
+set atom 27 y 1.99900682351654
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 43
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.15410325844937
+variable        y0 equal ${yi}
+variable        y0 equal 3.75003771348131
+
+set             atom $i x ${xnew}
+set             atom 43 x ${xnew}
+set             atom 43 x 1.1726589473074
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 43 y ${ynew}
+set             atom 43 y 3.80766061110628
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1325   -2.9871562   -2.2948613   -2.2848418 
+    1326   -2.9871562   -2.2948613   -2.2760542 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 43 x ${x0}
+set atom 43 x 1.15410325844937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 43 y ${y0}
+set atom 43 y 3.75003771348131
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 3
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.926390245754054
+variable        y0 equal ${yi}
+variable        y0 equal 9.23904097783893
+
+set             atom $i x ${xnew}
+set             atom 3 x ${xnew}
+set             atom 3 x 0.984874358970454
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 3 y ${ynew}
+set             atom 3 y 9.19249844062656
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1326   -2.9871562   -2.2948613   -2.2760542 
+    1327   -2.9871562   -2.2948613   -2.2953346 
+Loop time of 0.0406511 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.29533460197299
+variable naccept equal ${increment}
+variable naccept equal 333
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 94
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.01762646713897
+variable        y0 equal ${yi}
+variable        y0 equal 8.4145590535551
+
+set             atom $i x ${xnew}
+set             atom 94 x ${xnew}
+set             atom 94 x 7.0046394733493
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 94 y ${ynew}
+set             atom 94 y 8.32571720995006
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1327   -2.9871562   -2.2953346   -2.2953346 
+    1328   -2.9871562   -2.2953346   -2.2870682 
+Loop time of 4.69685e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 94 x ${x0}
+set atom 94 x 7.01762646713897
+  1 settings made for x
+set atom $i y ${y0}
+set atom 94 y ${y0}
+set atom 94 y 8.4145590535551
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.23979663292276
+variable        y0 equal ${yi}
+variable        y0 equal 5.5713402385016
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.23040086666452
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.54572231714921
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1328   -2.9871562   -2.2953346   -2.2870682 
+    1329   -2.9871562   -2.2953346   -2.2943054 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 65 x ${x0}
+set atom 65 x 2.23979663292276
+  1 settings made for x
+set atom $i y ${y0}
+set atom 65 y ${y0}
+set atom 65 y 5.5713402385016
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.15771750847207
+variable        y0 equal ${yi}
+variable        y0 equal 7.45649659958148
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.13383789697991
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.55631255235934
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1329   -2.9871562   -2.2953346   -2.2943054 
+    1330   -2.9871562   -2.2953346   -2.2580951 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.15771750847207
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.45649659958148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 3
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.984874358970454
+variable        y0 equal ${yi}
+variable        y0 equal 9.19249844062656
+
+set             atom $i x ${xnew}
+set             atom 3 x ${xnew}
+set             atom 3 x 0.942472997505
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 3 y ${ynew}
+set             atom 3 y 9.20325301397174
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1330   -2.9871562   -2.2953346   -2.2580951 
+    1331   -2.9871562   -2.2953346   -2.2935511 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 3 x ${x0}
+set atom 3 x 0.984874358970454
+  1 settings made for x
+set atom $i y ${y0}
+set atom 3 y ${y0}
+set atom 3 y 9.19249844062656
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 74
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.09398345032379
+variable        y0 equal ${yi}
+variable        y0 equal 6.52802731529703
+
+set             atom $i x ${xnew}
+set             atom 74 x ${xnew}
+set             atom 74 x 7.14869847574875
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 74 y ${ynew}
+set             atom 74 y 6.59937186972132
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1331   -2.9871562   -2.2953346   -2.2935511 
+    1332   -2.9871562   -2.2953346   -2.2402457 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 74 x ${x0}
+set atom 74 x 7.09398345032379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 74 y ${y0}
+set atom 74 y 6.52802731529703
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 56
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.10189970134594
+variable        y0 equal ${yi}
+variable        y0 equal 4.6733581578152
+
+set             atom $i x ${xnew}
+set             atom 56 x ${xnew}
+set             atom 56 x 8.18557254670956
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 56 y ${ynew}
+set             atom 56 y 4.6028702294247
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1332   -2.9871562   -2.2953346   -2.2402457 
+    1333   -2.9871562   -2.2953346   -2.2548114 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 56 x ${x0}
+set atom 56 x 8.10189970134594
+  1 settings made for x
+set atom $i y ${y0}
+set atom 56 y ${y0}
+set atom 56 y 4.6733581578152
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.29481029589387
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.4334490293761
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1333   -2.9871562   -2.2953346   -2.2548114 
+    1334   -2.9871562   -2.2953346   -2.2465423 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.54407576480333
+variable        y0 equal ${yi}
+variable        y0 equal 3.66106940074097
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.52757603087846
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.74092700047623
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1334   -2.9871562   -2.2953346   -2.2465423 
+    1335   -2.9871562   -2.2953346   -2.2887248 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 57 x ${x0}
+set atom 57 x 8.54407576480333
+  1 settings made for x
+set atom $i y ${y0}
+set atom 57 y ${y0}
+set atom 57 y 3.66106940074097
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.68808116793414
+variable        y0 equal ${yi}
+variable        y0 equal 6.45315314070217
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.65888813614627
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.3720808459901
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1335   -2.9871562   -2.2953346   -2.2887248 
+    1336   -2.9871562   -2.2953346   -2.2797678 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.68808116793414
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.45315314070217
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.15771750847207
+variable        y0 equal ${yi}
+variable        y0 equal 7.45649659958148
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.22260708252297
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.36962435570025
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1336   -2.9871562   -2.2953346   -2.2797678 
+    1337   -2.9871562   -2.2953346   -2.2860316 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.15771750847207
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.45649659958148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 32
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.90086858232013
+variable        y0 equal ${yi}
+variable        y0 equal 2.85332814427712
+
+set             atom $i x ${xnew}
+set             atom 32 x ${xnew}
+set             atom 32 x 5.862532317233
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 32 y ${ynew}
+set             atom 32 y 2.82836420508721
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1337   -2.9871562   -2.2953346   -2.2860316 
+    1338   -2.9871562   -2.2953346   -2.2867068 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 32 x ${x0}
+set atom 32 x 5.90086858232013
+  1 settings made for x
+set atom $i y ${y0}
+set atom 32 y ${y0}
+set atom 32 y 2.85332814427712
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 60
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1148146752378
+variable        y0 equal ${yi}
+variable        y0 equal 4.54698911065027
+
+set             atom $i x ${xnew}
+set             atom 60 x ${xnew}
+set             atom 60 x 10.1174637440702
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 60 y ${ynew}
+set             atom 60 y 4.61520494574472
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1338   -2.9871562   -2.2953346   -2.2867068 
+    1339   -2.9871562   -2.2953346    -2.293689 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 60 x ${x0}
+set atom 60 x 10.1148146752378
+  1 settings made for x
+set atom $i y ${y0}
+set atom 60 y ${y0}
+set atom 60 y 4.54698911065027
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.89080204048797
+variable        y0 equal ${yi}
+variable        y0 equal 0.962413962591011
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.86054152527496
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 0.928743715989906
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1339   -2.9871562   -2.2953346    -2.293689 
+    1340   -2.9871562   -2.2953346    -2.292052 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 14 x ${x0}
+set atom 14 x 6.89080204048797
+  1 settings made for x
+set atom $i y ${y0}
+set atom 14 y ${y0}
+set atom 14 y 0.962413962591011
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.41745940843489
+variable        y0 equal ${yi}
+variable        y0 equal 5.54884942715364
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.44861375490096
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.64803954308229
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1340   -2.9871562   -2.2953346    -2.292052 
+    1341   -2.9871562   -2.2953346   -2.2752771 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 71 x ${x0}
+set atom 71 x 5.41745940843489
+  1 settings made for x
+set atom $i y ${y0}
+set atom 71 y ${y0}
+set atom 71 y 5.54884942715364
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.07584694067344
+variable        y0 equal ${yi}
+variable        y0 equal 0.00976005792616981
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 2.17122870127067
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y -0.0807844519615255
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1341   -2.9871562   -2.2953346   -2.2752771 
+    1342   -2.9871562   -2.2953346   -2.2818217 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 5 x ${x0}
+set atom 5 x 2.07584694067344
+  1 settings made for x
+set atom $i y ${y0}
+set atom 5 y ${y0}
+set atom 5 y 0.00976005792616981
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.93586747366935
+variable        y0 equal ${yi}
+variable        y0 equal 0.897689135778275
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 8.92307041604072
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 0.861539550531235
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1342   -2.9871562   -2.2953346   -2.2818217 
+    1343   -2.9871562   -2.2953346   -2.2855368 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 18 x ${x0}
+set atom 18 x 8.93586747366935
+  1 settings made for x
+set atom $i y ${y0}
+set atom 18 y ${y0}
+set atom 18 y 0.897689135778275
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.96878697831622
+variable        y0 equal ${yi}
+variable        y0 equal 6.53832680717936
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 5.98072066266528
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.56137829557887
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1343   -2.9871562   -2.2953346   -2.2855368 
+    1344   -2.9871562   -2.2953346   -2.2920898 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 72 x ${x0}
+set atom 72 x 5.96878697831622
+  1 settings made for x
+set atom $i y ${y0}
+set atom 72 y ${y0}
+set atom 72 y 6.53832680717936
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.55546174207155
+variable        y0 equal ${yi}
+variable        y0 equal 5.67337435429292
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.59160623708193
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.74971814100938
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1344   -2.9871562   -2.2953346   -2.2920898 
+    1345   -2.9871562   -2.2953346   -2.2612975 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 77 x ${x0}
+set atom 77 x 8.55546174207155
+  1 settings made for x
+set atom $i y ${y0}
+set atom 77 y ${y0}
+set atom 77 y 5.67337435429292
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.302839982893
+variable        y0 equal ${yi}
+variable        y0 equal 0.902523060548633
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.3444101814289
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 0.871539982068866
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1345   -2.9871562   -2.2953346   -2.2612975 
+    1346   -2.9871562   -2.2953346   -2.2741451 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 20 x ${x0}
+set atom 20 x 10.302839982893
+  1 settings made for x
+set atom $i y ${y0}
+set atom 20 y ${y0}
+set atom 20 y 0.902523060548633
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 82
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.44764589826193
+variable        y0 equal ${yi}
+variable        y0 equal 8.32563534893091
+
+set             atom $i x ${xnew}
+set             atom 82 x ${xnew}
+set             atom 82 x 0.413469560542966
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 82 y ${ynew}
+set             atom 82 y 8.3198954454809
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1346   -2.9871562   -2.2953346   -2.2741451 
+    1347   -2.9871562   -2.2953346   -2.2877734 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 82 x ${x0}
+set atom 82 x 0.44764589826193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 82 y ${y0}
+set atom 82 y 8.32563534893091
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.81688043712911
+variable        y0 equal ${yi}
+variable        y0 equal 8.38843538679179
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.73077858328161
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.46238026536997
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1347   -2.9871562   -2.2953346   -2.2877734 
+    1348   -2.9871562   -2.2953346   -2.2654391 
+Loop time of 4.29153e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 90 x ${x0}
+set atom 90 x 4.81688043712911
+  1 settings made for x
+set atom $i y ${y0}
+set atom 90 y ${y0}
+set atom 90 y 8.38843538679179
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.81688043712911
+variable        y0 equal ${yi}
+variable        y0 equal 8.38843538679179
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.81817211746511
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.35664775289592
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1348   -2.9871562   -2.2953346   -2.2654391 
+    1349   -2.9871562   -2.2953346   -2.2916754 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 90 x ${x0}
+set atom 90 x 4.81688043712911
+  1 settings made for x
+set atom $i y ${y0}
+set atom 90 y ${y0}
+set atom 90 y 8.38843538679179
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.49823891638834
+variable        y0 equal ${yi}
+variable        y0 equal 3.73309955163132
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.50589700459559
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.63503306670319
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1349   -2.9871562   -2.2953346   -2.2916754 
+    1350   -2.9871562   -2.2953346   -2.2671004 
+Loop time of 4.69685e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 53 x ${x0}
+set atom 53 x 6.49823891638834
+  1 settings made for x
+set atom $i y ${y0}
+set atom 53 y ${y0}
+set atom 53 y 3.73309955163132
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.49823891638834
+variable        y0 equal ${yi}
+variable        y0 equal 3.73309955163132
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.57906069277842
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.82703535123001
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1350   -2.9871562   -2.2953346   -2.2671004 
+    1351   -2.9871562   -2.2953346   -2.2468861 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 53 x ${x0}
+set atom 53 x 6.49823891638834
+  1 settings made for x
+set atom $i y ${y0}
+set atom 53 y ${y0}
+set atom 53 y 3.73309955163132
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 95
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.50331240732442
+variable        y0 equal ${yi}
+variable        y0 equal 7.44483136263156
+
+set             atom $i x ${xnew}
+set             atom 95 x ${xnew}
+set             atom 95 x 7.59844397146474
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 95 y ${ynew}
+set             atom 95 y 7.36201099481845
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1351   -2.9871562   -2.2953346   -2.2468861 
+    1352   -2.9871562   -2.2953346   -2.2631901 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 95 x ${x0}
+set atom 95 x 7.50331240732442
+  1 settings made for x
+set atom $i y ${y0}
+set atom 95 y ${y0}
+set atom 95 y 7.44483136263156
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 78
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.15111655909569
+variable        y0 equal ${yi}
+variable        y0 equal 6.52915453449718
+
+set             atom $i x ${xnew}
+set             atom 78 x ${xnew}
+set             atom 78 x 9.141684624739
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 78 y ${ynew}
+set             atom 78 y 6.59070108667842
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1352   -2.9871562   -2.2953346   -2.2631901 
+    1353   -2.9871562   -2.2953346   -2.2754957 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 78 x ${x0}
+set atom 78 x 9.15111655909569
+  1 settings made for x
+set atom $i y ${y0}
+set atom 78 y ${y0}
+set atom 78 y 6.52915453449718
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 33
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.35099447487909
+variable        y0 equal ${yi}
+variable        y0 equal 1.92307773015564
+
+set             atom $i x ${xnew}
+set             atom 33 x ${xnew}
+set             atom 33 x 6.26091949462015
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 33 y ${ynew}
+set             atom 33 y 1.92970127246445
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1353   -2.9871562   -2.2953346   -2.2754957 
+    1354   -2.9871562   -2.2953346    -2.267102 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 33 x ${x0}
+set atom 33 x 6.35099447487909
+  1 settings made for x
+set atom $i y ${y0}
+set atom 33 y ${y0}
+set atom 33 y 1.92307773015564
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.570630665222075
+variable        y0 equal ${yi}
+variable        y0 equal 0.909747691858138
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.559640582004454
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.938582559335555
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1354   -2.9871562   -2.2953346    -2.267102 
+    1355   -2.9871562   -2.2953346   -2.2895123 
+Loop time of 4.79221e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.570630665222075
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 0.909747691858138
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.41745940843489
+variable        y0 equal ${yi}
+variable        y0 equal 5.54884942715364
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.49751656452086
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.49171273653703
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1355   -2.9871562   -2.2953346   -2.2895123 
+    1356   -2.9871562   -2.2953346     -2.25908 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 71 x ${x0}
+set atom 71 x 5.41745940843489
+  1 settings made for x
+set atom $i y ${y0}
+set atom 71 y ${y0}
+set atom 71 y 5.54884942715364
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 37
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.49348578610842
+variable        y0 equal ${yi}
+variable        y0 equal 1.80821938893861
+
+set             atom $i x ${xnew}
+set             atom 37 x ${xnew}
+set             atom 37 x 8.50109368720477
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 37 y ${ynew}
+set             atom 37 y 1.85763355872697
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1356   -2.9871562   -2.2953346     -2.25908 
+    1357   -2.9871562   -2.2953346   -2.2795324 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 37 x ${x0}
+set atom 37 x 8.49348578610842
+  1 settings made for x
+set atom $i y ${y0}
+set atom 37 y ${y0}
+set atom 37 y 1.80821938893861
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 49
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.29979468662949
+variable        y0 equal ${yi}
+variable        y0 equal 3.68506254716051
+
+set             atom $i x ${xnew}
+set             atom 49 x ${xnew}
+set             atom 49 x 4.37311956961365
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 49 y ${ynew}
+set             atom 49 y 3.73546738190782
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1357   -2.9871562   -2.2953346   -2.2795324 
+    1358   -2.9871562   -2.2953346   -2.3000699 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.3000699106129
+variable naccept equal ${increment}
+variable naccept equal 334
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.68808116793414
+variable        y0 equal ${yi}
+variable        y0 equal 6.45315314070217
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.67657356142779
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.46560488478176
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1358   -2.9871562   -2.3000699   -2.3000699 
+    1359   -2.9871562   -2.3000699   -2.3000242 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.30002419961976
+variable naccept equal ${increment}
+variable naccept equal 335
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 38
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.09958864171057
+variable        y0 equal ${yi}
+variable        y0 equal 2.75573046180108
+
+set             atom $i x ${xnew}
+set             atom 38 x ${xnew}
+set             atom 38 x 9.10881058890372
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 38 y ${ynew}
+set             atom 38 y 2.66405101987222
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1359   -2.9871562   -2.3000242   -2.3000242 
+    1360   -2.9871562   -2.3000242   -2.2536364 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 38 x ${x0}
+set atom 38 x 9.09958864171057
+  1 settings made for x
+set atom $i y ${y0}
+set atom 38 y ${y0}
+set atom 38 y 2.75573046180108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.81670362273342
+variable        y0 equal ${yi}
+variable        y0 equal 2.85977786752084
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.81068161049969
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.80909815999368
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1360   -2.9871562   -2.3000242   -2.2536364 
+    1361   -2.9871562   -2.3000242   -2.2946385 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.81670362273342
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.85977786752084
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 35
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.37088978130592
+variable        y0 equal ${yi}
+variable        y0 equal 1.86757599494523
+
+set             atom $i x ${xnew}
+set             atom 35 x ${xnew}
+set             atom 35 x 7.28278066952003
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 35 y ${ynew}
+set             atom 35 y 1.96565907380647
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1361   -2.9871562   -2.3000242   -2.2946385 
+    1362   -2.9871562   -2.3000242   -2.2077304 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 35 x ${x0}
+set atom 35 x 7.37088978130592
+  1 settings made for x
+set atom $i y ${y0}
+set atom 35 y ${y0}
+set atom 35 y 1.86757599494523
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 76
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.12744101880885
+variable        y0 equal ${yi}
+variable        y0 equal 6.56631985441675
+
+set             atom $i x ${xnew}
+set             atom 76 x ${xnew}
+set             atom 76 x 8.1830037414918
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 76 y ${ynew}
+set             atom 76 y 6.54814759031763
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1362   -2.9871562   -2.3000242   -2.2077304 
+    1363   -2.9871562   -2.3000242   -2.2690105 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 76 x ${x0}
+set atom 76 x 8.12744101880885
+  1 settings made for x
+set atom $i y ${y0}
+set atom 76 y ${y0}
+set atom 76 y 6.56631985441675
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 94
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.01762646713897
+variable        y0 equal ${yi}
+variable        y0 equal 8.4145590535551
+
+set             atom $i x ${xnew}
+set             atom 94 x ${xnew}
+set             atom 94 x 6.99377454796478
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 94 y ${ynew}
+set             atom 94 y 8.33024649538097
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1363   -2.9871562   -2.3000242   -2.2690105 
+    1364   -2.9871562   -2.3000242   -2.2927375 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 94 x ${x0}
+set atom 94 x 7.01762646713897
+  1 settings made for x
+set atom $i y ${y0}
+set atom 94 y ${y0}
+set atom 94 y 8.4145590535551
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.3997807749054
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.59105925505359
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1364   -2.9871562   -2.3000242   -2.2927375 
+    1365   -2.9871562   -2.3000242    -2.287627 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.67657356142779
+variable        y0 equal ${yi}
+variable        y0 equal 6.46560488478176
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.73513083338519
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.53814416662685
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1365   -2.9871562   -2.3000242    -2.287627 
+    1366   -2.9871562   -2.3000242   -2.2947541 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.67657356142779
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.46560488478176
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.9899615760564
+variable        y0 equal ${yi}
+variable        y0 equal 4.5907792245762
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 6.04368883330814
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.6619808828251
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1366   -2.9871562   -2.3000242   -2.2947541 
+    1367   -2.9871562   -2.3000242   -2.2486274 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 52 x ${x0}
+set atom 52 x 5.9899615760564
+  1 settings made for x
+set atom $i y ${y0}
+set atom 52 y ${y0}
+set atom 52 y 4.5907792245762
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 87
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.20964491128483
+variable        y0 equal ${yi}
+variable        y0 equal 7.4096286090877
+
+set             atom $i x ${xnew}
+set             atom 87 x ${xnew}
+set             atom 87 x 3.25867109059849
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 87 y ${ynew}
+set             atom 87 y 7.33470831241869
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1367   -2.9871562   -2.3000242   -2.2486274 
+    1368   -2.9871562   -2.3000242   -2.2794964 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 87 x ${x0}
+set atom 87 x 3.20964491128483
+  1 settings made for x
+set atom $i y ${y0}
+set atom 87 y ${y0}
+set atom 87 y 7.4096286090877
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 30
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.8951647126609
+variable        y0 equal ${yi}
+variable        y0 equal 2.85868977280953
+
+set             atom $i x ${xnew}
+set             atom 30 x ${xnew}
+set             atom 30 x 4.93554923176109
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 30 y ${ynew}
+set             atom 30 y 2.77407791587212
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1368   -2.9871562   -2.3000242   -2.2794964 
+    1369   -2.9871562   -2.3000242   -2.2596362 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 30 x ${x0}
+set atom 30 x 4.8951647126609
+  1 settings made for x
+set atom $i y ${y0}
+set atom 30 y ${y0}
+set atom 30 y 2.85868977280953
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.54407576480333
+variable        y0 equal ${yi}
+variable        y0 equal 3.66106940074097
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.52560963788454
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.70876102013718
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1369   -2.9871562   -2.3000242   -2.2596362 
+    1370   -2.9871562   -2.3000242    -2.295648 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 57 x ${x0}
+set atom 57 x 8.54407576480333
+  1 settings made for x
+set atom $i y ${y0}
+set atom 57 y ${y0}
+set atom 57 y 3.66106940074097
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.46753388483297
+variable        y0 equal ${yi}
+variable        y0 equal 0.0335806965827942
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.43759010870229
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y 0.0258335590362549
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1370   -2.9871562   -2.3000242    -2.295648 
+    1371   -2.9871562   -2.3000242   -2.2970438 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 15 x ${x0}
+set atom 15 x 7.46753388483297
+  1 settings made for x
+set atom $i y ${y0}
+set atom 15 y ${y0}
+set atom 15 y 0.0335806965827942
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.81292923887205
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.73180116766854
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1371   -2.9871562   -2.3000242   -2.2970438 
+    1372   -2.9871562   -2.3000242   -2.2838162 
+Loop time of 4.79221e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80759401837473
+variable        y0 equal ${yi}
+variable        y0 equal 4.6440585290806
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.74989660302286
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.60778792256281
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1372   -2.9871562   -2.3000242   -2.2838162 
+    1373   -2.9871562   -2.3000242   -2.2889697 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 48 x ${x0}
+set atom 48 x 3.80759401837473
+  1 settings made for x
+set atom $i y ${y0}
+set atom 48 y ${y0}
+set atom 48 y 4.6440585290806
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.81670362273342
+variable        y0 equal ${yi}
+variable        y0 equal 2.85977786752084
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.76993929663784
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.88655667277673
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1373   -2.9871562   -2.3000242   -2.2889697 
+    1374   -2.9871562   -2.3000242   -2.2961247 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.81670362273342
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.85977786752084
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.11236243842937
+variable        y0 equal ${yi}
+variable        y0 equal 8.24853718198832
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.0769247591386
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.24582147516306
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1374   -2.9871562   -2.3000242   -2.2961247 
+    1375   -2.9871562   -2.3000242   -2.3014587 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.30145868769799
+variable naccept equal ${increment}
+variable naccept equal 336
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 24
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.58530928969164
+variable        y0 equal ${yi}
+variable        y0 equal 2.75449854108194
+
+set             atom $i x ${xnew}
+set             atom 24 x ${xnew}
+set             atom 24 x 1.51563278317232
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 24 y ${ynew}
+set             atom 24 y 2.76446560593942
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1375   -2.9871562   -2.3014587   -2.3014587 
+    1376   -2.9871562   -2.3014587   -2.2809652 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 24 x ${x0}
+set atom 24 x 1.58530928969164
+  1 settings made for x
+set atom $i y ${y0}
+set atom 24 y ${y0}
+set atom 24 y 2.75449854108194
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 86
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.71264111001922
+variable        y0 equal ${yi}
+variable        y0 equal 8.37165092147884
+
+set             atom $i x ${xnew}
+set             atom 86 x ${xnew}
+set             atom 86 x 2.73734647233917
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 86 y ${ynew}
+set             atom 86 y 8.41885987438259
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1376   -2.9871562   -2.3014587   -2.2809652 
+    1377   -2.9871562   -2.3014587   -2.2989242 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 86 x ${x0}
+set atom 86 x 2.71264111001922
+  1 settings made for x
+set atom $i y ${y0}
+set atom 86 y ${y0}
+set atom 86 y 8.37165092147884
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0228117227554322
+variable        y0 equal ${yi}
+variable        y0 equal 1.82412650964326
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x 0.00867300033569343
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 1.75659397027558
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1377   -2.9871562   -2.3014587   -2.2989242 
+    1378   -2.9871562   -2.3014587   -2.2802437 
+Loop time of 3.88622e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 21 x ${x0}
+set atom 21 x 0.0228117227554322
+  1 settings made for x
+set atom $i y ${y0}
+set atom 21 y ${y0}
+set atom 21 y 1.82412650964326
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 97
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.64328949609225
+variable        y0 equal ${yi}
+variable        y0 equal 7.40728055563236
+
+set             atom $i x ${xnew}
+set             atom 97 x ${xnew}
+set             atom 97 x 8.71756481090014
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 97 y ${ynew}
+set             atom 97 y 7.38722594108845
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1378   -2.9871562   -2.3014587   -2.2802437 
+    1379   -2.9871562   -2.3014587   -2.2822409 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 97 x ${x0}
+set atom 97 x 8.64328949609225
+  1 settings made for x
+set atom $i y ${y0}
+set atom 97 y ${y0}
+set atom 97 y 7.40728055563236
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.24420675992527
+variable        y0 equal ${yi}
+variable        y0 equal 3.73567457957399
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.3001845931963
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.66794571442735
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1379   -2.9871562   -2.3014587   -2.2822409 
+    1380   -2.9871562   -2.3014587    -2.281194 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 47 x ${x0}
+set atom 47 x 3.24420675992527
+  1 settings made for x
+set atom $i y ${y0}
+set atom 47 y ${y0}
+set atom 47 y 3.73567457957399
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.19388546387063
+variable        y0 equal ${yi}
+variable        y0 equal 3.77270575328004
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.14967696110116
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.81221352381837
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1380   -2.9871562   -2.3014587    -2.281194 
+    1381   -2.9871562   -2.3014587   -2.2964729 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 45 x ${x0}
+set atom 45 x 2.19388546387063
+  1 settings made for x
+set atom $i y ${y0}
+set atom 45 y ${y0}
+set atom 45 y 3.77270575328004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 36
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.03611046670772
+variable        y0 equal ${yi}
+variable        y0 equal 2.66520280810693
+
+set             atom $i x ${xnew}
+set             atom 36 x ${xnew}
+set             atom 36 x 7.95910298227169
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 36 y ${ynew}
+set             atom 36 y 2.63818027945855
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1381   -2.9871562   -2.3014587   -2.2964729 
+    1382   -2.9871562   -2.3014587   -2.2806686 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 36 x ${x0}
+set atom 36 x 8.03611046670772
+  1 settings made for x
+set atom $i y ${y0}
+set atom 36 y ${y0}
+set atom 36 y 2.66520280810693
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.302839982893
+variable        y0 equal ${yi}
+variable        y0 equal 0.902523060548633
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.2292649034519
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 0.913150580633014
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1382   -2.9871562   -2.3014587   -2.2806686 
+    1383   -2.9871562   -2.3014587   -2.3164982 
+Loop time of 4.79221e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.31649817267791
+variable naccept equal ${increment}
+variable naccept equal 337
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.19388546387063
+variable        y0 equal ${yi}
+variable        y0 equal 3.77270575328004
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.26573571602212
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.77390906376969
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1383   -2.9871562   -2.3164982   -2.3164982 
+    1384   -2.9871562   -2.3164982   -2.2957446 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 45 x ${x0}
+set atom 45 x 2.19388546387063
+  1 settings made for x
+set atom $i y ${y0}
+set atom 45 y ${y0}
+set atom 45 y 3.77270575328004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.46753388483297
+variable        y0 equal ${yi}
+variable        y0 equal 0.0335806965827942
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.54676409799825
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y 0.0123356819152832
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1384   -2.9871562   -2.3164982   -2.2957446 
+    1385   -2.9871562   -2.3164982   -2.3042891 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 15 x ${x0}
+set atom 15 x 7.46753388483297
+  1 settings made for x
+set atom $i y ${y0}
+set atom 15 y ${y0}
+set atom 15 y 0.0335806965827942
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.96878697831622
+variable        y0 equal ${yi}
+variable        y0 equal 6.53832680717936
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 5.91448788602343
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.57558637396327
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1385   -2.9871562   -2.3164982   -2.3042891 
+    1386   -2.9871562   -2.3164982   -2.3112206 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 72 x ${x0}
+set atom 72 x 5.96878697831622
+  1 settings made for x
+set atom $i y ${y0}
+set atom 72 y ${y0}
+set atom 72 y 6.53832680717936
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.87741336464225
+variable        y0 equal ${yi}
+variable        y0 equal 6.4556893421792
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.80220596432029
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.44829917685022
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1386   -2.9871562   -2.3164982   -2.3112206 
+    1387   -2.9871562   -2.3164982   -2.3011108 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 4.87741336464225
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.4556893421792
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6111590226346
+variable        y0 equal ${yi}
+variable        y0 equal 9.22944378364413
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x 10.6703532059842
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 9.2144169758591
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1387   -2.9871562   -2.3164982   -2.3011108 
+    1388   -2.9871562   -2.3164982   -2.3128349 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 1 x ${x0}
+set atom 1 x 10.6111590226346
+  1 settings made for x
+set atom $i y ${y0}
+set atom 1 y ${y0}
+set atom 1 y 9.22944378364413
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 68
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80623258868343
+variable        y0 equal ${yi}
+variable        y0 equal 6.50073292986383
+
+set             atom $i x ${xnew}
+set             atom 68 x ${xnew}
+set             atom 68 x 3.76491075078136
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 68 y ${ynew}
+set             atom 68 y 6.496090705552
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1388   -2.9871562   -2.3164982   -2.3128349 
+    1389   -2.9871562   -2.3164982   -2.3035526 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 68 x ${x0}
+set atom 68 x 3.80623258868343
+  1 settings made for x
+set atom $i y ${y0}
+set atom 68 y ${y0}
+set atom 68 y 6.50073292986383
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 24
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.58530928969164
+variable        y0 equal ${yi}
+variable        y0 equal 2.75449854108194
+
+set             atom $i x ${xnew}
+set             atom 24 x ${xnew}
+set             atom 24 x 1.63001570582171
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 24 y ${ynew}
+set             atom 24 y 2.83223057957987
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1389   -2.9871562   -2.3164982   -2.3035526 
+    1390   -2.9871562   -2.3164982    -2.317513 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.31751303944805
+variable naccept equal ${increment}
+variable naccept equal 338
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.93586747366935
+variable        y0 equal ${yi}
+variable        y0 equal 0.897689135778275
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 8.941789159365
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 0.938164039361802
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1390   -2.9871562    -2.317513    -2.317513 
+    1391   -2.9871562    -2.317513   -2.3159548 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 18 x ${x0}
+set atom 18 x 8.93586747366935
+  1 settings made for x
+set atom $i y ${y0}
+set atom 18 y ${y0}
+set atom 18 y 0.897689135778275
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.15771750847207
+variable        y0 equal ${yi}
+variable        y0 equal 7.45649659958148
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.08614566961633
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.51490707721972
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1391   -2.9871562    -2.317513   -2.3159548 
+    1392   -2.9871562    -2.317513   -2.2829082 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.15771750847207
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.45649659958148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 66
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.78488953311874
+variable        y0 equal ${yi}
+variable        y0 equal 6.49416505829325
+
+set             atom $i x ${xnew}
+set             atom 66 x ${xnew}
+set             atom 66 x 2.80120359857513
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 66 y ${ynew}
+set             atom 66 y 6.43112880722513
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1392   -2.9871562    -2.317513   -2.2829082 
+    1393   -2.9871562    -2.317513   -2.3012626 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 66 x ${x0}
+set atom 66 x 2.78488953311874
+  1 settings made for x
+set atom $i y ${y0}
+set atom 66 y ${y0}
+set atom 66 y 6.49416505829325
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.570630665222075
+variable        y0 equal ${yi}
+variable        y0 equal 0.909747691858138
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.491872127452757
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.889505692231978
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1393   -2.9871562    -2.317513   -2.3012626 
+    1394   -2.9871562    -2.317513   -2.3110984 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.570630665222075
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 0.909747691858138
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.11815181096249
+variable        y0 equal ${yi}
+variable        y0 equal 7.44427507248187
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.12687894423657
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.52368215647006
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1394   -2.9871562    -2.317513   -2.3110984 
+    1395   -2.9871562    -2.317513   -2.3045404 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.11815181096249
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.44427507248187
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.19388546387063
+variable        y0 equal ${yi}
+variable        y0 equal 3.77270575328004
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.19773116747247
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.7004801706804
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1395   -2.9871562    -2.317513   -2.3045404 
+    1396   -2.9871562    -2.317513   -2.2959113 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 45 x ${x0}
+set atom 45 x 2.19388546387063
+  1 settings made for x
+set atom $i y ${y0}
+set atom 45 y ${y0}
+set atom 45 y 3.77270575328004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 63
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.987933591205408
+variable        y0 equal ${yi}
+variable        y0 equal 5.5415678853293
+
+set             atom $i x ${xnew}
+set             atom 63 x ${xnew}
+set             atom 63 x 1.04039912541561
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 63 y ${ynew}
+set             atom 63 y 5.56148483698564
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1396   -2.9871562    -2.317513   -2.2959113 
+    1397   -2.9871562    -2.317513   -2.3215174 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.32151737970465
+variable naccept equal ${increment}
+variable naccept equal 339
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 38
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.09958864171057
+variable        y0 equal ${yi}
+variable        y0 equal 2.75573046180108
+
+set             atom $i x ${xnew}
+set             atom 38 x ${xnew}
+set             atom 38 x 9.08363334853201
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 38 y ${ynew}
+set             atom 38 y 2.82831166955331
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1397   -2.9871562   -2.3215174   -2.3215174 
+    1398   -2.9871562   -2.3215174    -2.306214 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 38 x ${x0}
+set atom 38 x 9.09958864171057
+  1 settings made for x
+set atom $i y ${y0}
+set atom 38 y ${y0}
+set atom 38 y 2.75573046180108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.28738315184327
+variable        y0 equal ${yi}
+variable        y0 equal 1.92619390866823
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.31444346983643
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.98561314723558
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1398   -2.9871562   -2.3215174    -2.306214 
+    1399   -2.9871562   -2.3215174   -2.3120159 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.28738315184327
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.92619390866823
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 95
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.50331240732442
+variable        y0 equal ${yi}
+variable        y0 equal 7.44483136263156
+
+set             atom $i x ${xnew}
+set             atom 95 x ${xnew}
+set             atom 95 x 7.46974054414998
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 95 y ${ynew}
+set             atom 95 y 7.54474844064975
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1399   -2.9871562   -2.3215174   -2.3120159 
+    1400   -2.9871562   -2.3215174   -2.2787829 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 95 x ${x0}
+set atom 95 x 7.50331240732442
+  1 settings made for x
+set atom $i y ${y0}
+set atom 95 y ${y0}
+set atom 95 y 7.44483136263156
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.78193971434718
+variable        y0 equal ${yi}
+variable        y0 equal 8.31736352361736
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.80360286751872
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.26736197389659
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1400   -2.9871562   -2.3215174   -2.2787829 
+    1401   -2.9871562   -2.3215174   -2.3147138 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.78193971434718
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.31736352361736
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 94
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.01762646713897
+variable        y0 equal ${yi}
+variable        y0 equal 8.4145590535551
+
+set             atom $i x ${xnew}
+set             atom 94 x ${xnew}
+set             atom 94 x 7.04720294752761
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 94 y ${ynew}
+set             atom 94 y 8.49314690746364
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1401   -2.9871562   -2.3215174   -2.3147138 
+    1402   -2.9871562   -2.3215174   -2.2904713 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 94 x ${x0}
+set atom 94 x 7.01762646713897
+  1 settings made for x
+set atom $i y ${y0}
+set atom 94 y ${y0}
+set atom 94 y 8.4145590535551
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.81688043712911
+variable        y0 equal ${yi}
+variable        y0 equal 8.38843538679179
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.72588594793615
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.35614013589915
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1402   -2.9871562   -2.3215174   -2.2904713 
+    1403   -2.9871562   -2.3215174   -2.2923922 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 90 x ${x0}
+set atom 90 x 4.81688043712911
+  1 settings made for x
+set atom $i y ${y0}
+set atom 90 y ${y0}
+set atom 90 y 8.38843538679179
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 99
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.7112571763861
+variable        y0 equal ${yi}
+variable        y0 equal 7.38156818475986
+
+set             atom $i x ${xnew}
+set             atom 99 x ${xnew}
+set             atom 99 x 9.66611899613021
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 99 y ${ynew}
+set             atom 99 y 7.43684519853855
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1403   -2.9871562   -2.3215174   -2.2923922 
+    1404   -2.9871562   -2.3215174   -2.2975685 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 99 x ${x0}
+set atom 99 x 9.7112571763861
+  1 settings made for x
+set atom $i y ${y0}
+set atom 99 y ${y0}
+set atom 99 y 7.38156818475986
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 7
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.22492432355444
+variable        y0 equal ${yi}
+variable        y0 equal 0.0240613460540867
+
+set             atom $i x ${xnew}
+set             atom 7 x ${xnew}
+set             atom 7 x 3.29039489984076
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 7 y ${ynew}
+set             atom 7 y -0.0393152713775539
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1404   -2.9871562   -2.3215174   -2.2975685 
+    1405   -2.9871562   -2.3215174    -2.300453 
+Loop time of 0.264315 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 7 x ${x0}
+set atom 7 x 3.22492432355444
+  1 settings made for x
+set atom $i y ${y0}
+set atom 7 y ${y0}
+set atom 7 y 0.0240613460540867
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 41
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0739950656890791
+variable        y0 equal ${yi}
+variable        y0 equal 3.67012049718035
+
+set             atom $i x ${xnew}
+set             atom 41 x ${xnew}
+set             atom 41 x 0.159561967849724
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 41 y ${ynew}
+set             atom 41 y 3.7207234577669
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1405   -2.9871562   -2.3215174    -2.300453 
+    1406   -2.9871562   -2.3215174   -2.2842087 
+Loop time of 4.60148e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 41 x ${x0}
+set atom 41 x 0.0739950656890791
+  1 settings made for x
+set atom $i y ${y0}
+set atom 41 y ${y0}
+set atom 41 y 3.67012049718035
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 33
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.35099447487909
+variable        y0 equal ${yi}
+variable        y0 equal 1.92307773015564
+
+set             atom $i x ${xnew}
+set             atom 33 x ${xnew}
+set             atom 33 x 6.38545426844675
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 33 y ${ynew}
+set             atom 33 y 1.82912135503357
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1406   -2.9871562   -2.3215174   -2.2842087 
+    1407   -2.9871562   -2.3215174   -2.3101598 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 33 x ${x0}
+set atom 33 x 6.35099447487909
+  1 settings made for x
+set atom $i y ${y0}
+set atom 33 y ${y0}
+set atom 33 y 1.92307773015564
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.46753388483297
+variable        y0 equal ${yi}
+variable        y0 equal 0.0335806965827942
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.53864973623525
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y 0.00289301872253419
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1407   -2.9871562   -2.3215174   -2.3101598 
+    1408   -2.9871562   -2.3215174   -2.3121441 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 15 x ${x0}
+set atom 15 x 7.46753388483297
+  1 settings made for x
+set atom $i y ${y0}
+set atom 15 y ${y0}
+set atom 15 y 0.0335806965827942
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.08689599949867
+variable        y0 equal ${yi}
+variable        y0 equal 4.81755102032586
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 9.01123799998314
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.76901442164346
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1408   -2.9871562   -2.3215174   -2.3121441 
+    1409   -2.9871562   -2.3215174   -2.2782364 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 58 x ${x0}
+set atom 58 x 9.08689599949867
+  1 settings made for x
+set atom $i y ${y0}
+set atom 58 y ${y0}
+set atom 58 y 4.81755102032586
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 78
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.15111655909569
+variable        y0 equal ${yi}
+variable        y0 equal 6.52915453449718
+
+set             atom $i x ${xnew}
+set             atom 78 x ${xnew}
+set             atom 78 x 9.20614525992424
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 78 y ${ynew}
+set             atom 78 y 6.48910862938396
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1409   -2.9871562   -2.3215174   -2.2782364 
+    1410   -2.9871562   -2.3215174   -2.3000176 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 78 x ${x0}
+set atom 78 x 9.15111655909569
+  1 settings made for x
+set atom $i y ${y0}
+set atom 78 y ${y0}
+set atom 78 y 6.52915453449718
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 94
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.01762646713897
+variable        y0 equal ${yi}
+variable        y0 equal 8.4145590535551
+
+set             atom $i x ${xnew}
+set             atom 94 x ${xnew}
+set             atom 94 x 7.10383940020248
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 94 y ${ynew}
+set             atom 94 y 8.47872091449794
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1410   -2.9871562   -2.3215174   -2.3000176 
+    1411   -2.9871562   -2.3215174   -2.2770492 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 94 x ${x0}
+set atom 94 x 7.01762646713897
+  1 settings made for x
+set atom $i y ${y0}
+set atom 94 y ${y0}
+set atom 94 y 8.4145590535551
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 60
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1148146752378
+variable        y0 equal ${yi}
+variable        y0 equal 4.54698911065027
+
+set             atom $i x ${xnew}
+set             atom 60 x ${xnew}
+set             atom 60 x 10.1039869431516
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 60 y ${ynew}
+set             atom 60 y 4.48867152089044
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1411   -2.9871562   -2.3215174   -2.2770492 
+    1412   -2.9871562   -2.3215174   -2.3086917 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 60 x ${x0}
+set atom 60 x 10.1148146752378
+  1 settings made for x
+set atom $i y ${y0}
+set atom 60 y ${y0}
+set atom 60 y 4.54698911065027
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 68
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80623258868343
+variable        y0 equal ${yi}
+variable        y0 equal 6.50073292986383
+
+set             atom $i x ${xnew}
+set             atom 68 x ${xnew}
+set             atom 68 x 3.73662535468227
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 68 y ${ynew}
+set             atom 68 y 6.5160320951127
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1412   -2.9871562   -2.3215174   -2.3086917 
+    1413   -2.9871562   -2.3215174   -2.2944351 
+Loop time of 0.000146866 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 68 x ${x0}
+set atom 68 x 3.80623258868343
+  1 settings made for x
+set atom $i y ${y0}
+set atom 68 y ${y0}
+set atom 68 y 6.50073292986383
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 42
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.463221640983487
+variable        y0 equal ${yi}
+variable        y0 equal 4.61717816943094
+
+set             atom $i x ${xnew}
+set             atom 42 x ${xnew}
+set             atom 42 x 0.500509889522458
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 42 y ${ynew}
+set             atom 42 y 4.59161240214273
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1413   -2.9871562   -2.3215174   -2.2944351 
+    1414   -2.9871562   -2.3215174   -2.3275619 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.32756190420613
+variable naccept equal ${increment}
+variable naccept equal 340
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.570630665222075
+variable        y0 equal ${yi}
+variable        y0 equal 0.909747691858138
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.633430464664366
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.811392517793502
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1414   -2.9871562   -2.3275619   -2.3275619 
+    1415   -2.9871562   -2.3275619   -2.3129469 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.570630665222075
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 0.909747691858138
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 86
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.71264111001922
+variable        y0 equal ${yi}
+variable        y0 equal 8.37165092147884
+
+set             atom $i x ${xnew}
+set             atom 86 x ${xnew}
+set             atom 86 x 2.78002122838928
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 86 y ${ynew}
+set             atom 86 y 8.43544684566555
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1415   -2.9871562   -2.3275619   -2.3129469 
+    1416   -2.9871562   -2.3275619   -2.3132303 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 86 x ${x0}
+set atom 86 x 2.71264111001922
+  1 settings made for x
+set atom $i y ${y0}
+set atom 86 y ${y0}
+set atom 86 y 8.37165092147884
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 98
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.16308992821724
+variable        y0 equal ${yi}
+variable        y0 equal 8.28462620891627
+
+set             atom $i x ${xnew}
+set             atom 98 x ${xnew}
+set             atom 98 x 9.14319008309395
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 98 y ${ynew}
+set             atom 98 y 8.37685922302302
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1416   -2.9871562   -2.3275619   -2.3132303 
+    1417   -2.9871562   -2.3275619    -2.334119 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.33411903559274
+variable naccept equal ${increment}
+variable naccept equal 341
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 8
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.72333437720424
+variable        y0 equal ${yi}
+variable        y0 equal 1.06102300475869
+
+set             atom $i x ${xnew}
+set             atom 8 x ${xnew}
+set             atom 8 x 3.68942341128475
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 8 y ${ynew}
+set             atom 8 y 1.02944649051461
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1417   -2.9871562    -2.334119    -2.334119 
+    1418   -2.9871562    -2.334119   -2.3327015 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 8 x ${x0}
+set atom 8 x 3.72333437720424
+  1 settings made for x
+set atom $i y ${y0}
+set atom 8 y ${y0}
+set atom 8 y 1.06102300475869
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 62
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.654104717174436
+variable        y0 equal ${yi}
+variable        y0 equal 6.49111358658304
+
+set             atom $i x ${xnew}
+set             atom 62 x ${xnew}
+set             atom 62 x 0.681616993347074
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 62 y ${ynew}
+set             atom 62 y 6.51842010752191
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1418   -2.9871562    -2.334119   -2.3327015 
+    1419   -2.9871562    -2.334119   -2.3339006 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 62 x ${x0}
+set atom 62 x 0.654104717174436
+  1 settings made for x
+set atom $i y ${y0}
+set atom 62 y ${y0}
+set atom 62 y 6.49111358658304
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 10
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.80188562511741
+variable        y0 equal ${yi}
+variable        y0 equal 0.909176393258899
+
+set             atom $i x ${xnew}
+set             atom 10 x ${xnew}
+set             atom 10 x 4.77766234516441
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 10 y ${ynew}
+set             atom 10 y 0.927607925641864
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1419   -2.9871562    -2.334119   -2.3339006 
+    1420   -2.9871562    -2.334119   -2.3369591 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.33695911426154
+variable naccept equal ${increment}
+variable naccept equal 342
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 94
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.01762646713897
+variable        y0 equal ${yi}
+variable        y0 equal 8.4145590535551
+
+set             atom $i x ${xnew}
+set             atom 94 x ${xnew}
+set             atom 94 x 6.9232407239978
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 94 y ${ynew}
+set             atom 94 y 8.47292033351955
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1420   -2.9871562   -2.3369591   -2.3369591 
+    1421   -2.9871562   -2.3369591   -2.3138447 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 94 x ${x0}
+set atom 94 x 7.01762646713897
+  1 settings made for x
+set atom $i y ${y0}
+set atom 94 y ${y0}
+set atom 94 y 8.4145590535551
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 87
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.20964491128483
+variable        y0 equal ${yi}
+variable        y0 equal 7.4096286090877
+
+set             atom $i x ${xnew}
+set             atom 87 x ${xnew}
+set             atom 87 x 3.17499112844029
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 87 y ${ynew}
+set             atom 87 y 7.40797953930163
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1421   -2.9871562   -2.3369591   -2.3138447 
+    1422   -2.9871562   -2.3369591   -2.3290892 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 87 x ${x0}
+set atom 87 x 3.20964491128483
+  1 settings made for x
+set atom $i y ${y0}
+set atom 87 y ${y0}
+set atom 87 y 7.4096286090877
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.93586747366935
+variable        y0 equal ${yi}
+variable        y0 equal 0.897689135778275
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 8.9175483437255
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 0.922007139432755
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1422   -2.9871562   -2.3369591   -2.3290892 
+    1423   -2.9871562   -2.3369591   -2.3297941 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 18 x ${x0}
+set atom 18 x 8.93586747366935
+  1 settings made for x
+set atom $i y ${y0}
+set atom 18 y ${y0}
+set atom 18 y 0.897689135778275
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.9899615760564
+variable        y0 equal ${yi}
+variable        y0 equal 4.5907792245762
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 5.91528801877491
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.56174655312463
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1423   -2.9871562   -2.3369591   -2.3297941 
+    1424   -2.9871562   -2.3369591   -2.3001875 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 52 x ${x0}
+set atom 52 x 5.9899615760564
+  1 settings made for x
+set atom $i y ${y0}
+set atom 52 y ${y0}
+set atom 52 y 4.5907792245762
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 98
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.14319008309395
+variable        y0 equal ${yi}
+variable        y0 equal 8.37685922302302
+
+set             atom $i x ${xnew}
+set             atom 98 x ${xnew}
+set             atom 98 x 9.21071982104332
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 98 y ${ynew}
+set             atom 98 y 8.28916510261592
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1424   -2.9871562   -2.3369591   -2.3001875 
+    1425   -2.9871562   -2.3369591   -2.3141418 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 98 x ${x0}
+set atom 98 x 9.14319008309395
+  1 settings made for x
+set atom $i y ${y0}
+set atom 98 y ${y0}
+set atom 98 y 8.37685922302302
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.93586747366935
+variable        y0 equal ${yi}
+variable        y0 equal 0.897689135778275
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 8.99518160540611
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 0.952992590177384
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1425   -2.9871562   -2.3369591   -2.3141418 
+    1426   -2.9871562   -2.3369591   -2.3396307 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.3396307160614
+variable naccept equal ${increment}
+variable naccept equal 343
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.96878697831622
+variable        y0 equal ${yi}
+variable        y0 equal 6.53832680717936
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 5.89155312736026
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.59588965908518
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1426   -2.9871562   -2.3396307   -2.3396307 
+    1427   -2.9871562   -2.3396307   -2.3288513 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 72 x ${x0}
+set atom 72 x 5.96878697831622
+  1 settings made for x
+set atom $i y ${y0}
+set atom 72 y ${y0}
+set atom 72 y 6.53832680717936
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 23
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.07343188841992
+variable        y0 equal ${yi}
+variable        y0 equal 1.85961672446793
+
+set             atom $i x ${xnew}
+set             atom 23 x ${xnew}
+set             atom 23 x 1.09460839350873
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 23 y ${ynew}
+set             atom 23 y 1.78177765986985
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1427   -2.9871562   -2.3396307   -2.3288513 
+    1428   -2.9871562   -2.3396307   -2.3213605 
+Loop time of 7.51019e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 23 x ${x0}
+set atom 23 x 1.07343188841992
+  1 settings made for x
+set atom $i y ${y0}
+set atom 23 y ${y0}
+set atom 23 y 1.85961672446793
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 38
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.09958864171057
+variable        y0 equal ${yi}
+variable        y0 equal 2.75573046180108
+
+set             atom $i x ${xnew}
+set             atom 38 x ${xnew}
+set             atom 38 x 9.11200407464056
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 38 y ${ynew}
+set             atom 38 y 2.84812313290933
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1428   -2.9871562   -2.3396307   -2.3213605 
+    1429   -2.9871562   -2.3396307   -2.3089544 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 38 x ${x0}
+set atom 38 x 9.09958864171057
+  1 settings made for x
+set atom $i y ${y0}
+set atom 38 y ${y0}
+set atom 38 y 2.75573046180108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0228117227554322
+variable        y0 equal ${yi}
+variable        y0 equal 1.82412650964326
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x -0.0584160566329955
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 1.80623832128114
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1429   -2.9871562   -2.3396307   -2.3089544 
+    1430   -2.9871562   -2.3396307   -2.3378182 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 21 x ${x0}
+set atom 21 x 0.0228117227554322
+  1 settings made for x
+set atom $i y ${y0}
+set atom 21 y ${y0}
+set atom 21 y 1.82412650964326
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.30100279251004
+variable        y0 equal ${yi}
+variable        y0 equal 7.47468527879977
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.21299447217847
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.38093111839556
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1430   -2.9871562   -2.3396307   -2.3378182 
+    1431   -2.9871562   -2.3396307   -2.1697277 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 91 x ${x0}
+set atom 91 x 5.30100279251004
+  1 settings made for x
+set atom $i y ${y0}
+set atom 91 y ${y0}
+set atom 91 y 7.47468527879977
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.24420675992527
+variable        y0 equal ${yi}
+variable        y0 equal 3.73567457957399
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.3393802380518
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.68666055960786
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1431   -2.9871562   -2.3396307   -2.1697277 
+    1432   -2.9871562   -2.3396307   -2.3156496 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 47 x ${x0}
+set atom 47 x 3.24420675992527
+  1 settings made for x
+set atom $i y ${y0}
+set atom 47 y ${y0}
+set atom 47 y 3.73567457957399
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.98549635687515
+variable        y0 equal ${yi}
+variable        y0 equal 2.82734158011773
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 7.04396488943741
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.88780105086663
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1432   -2.9871562   -2.3396307   -2.3156496 
+    1433   -2.9871562   -2.3396307   -2.3216601 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 34 x ${x0}
+set atom 34 x 6.98549635687515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 34 y ${y0}
+set atom 34 y 2.82734158011773
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 81
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0322040319442937
+variable        y0 equal ${yi}
+variable        y0 equal 7.38692112293505
+
+set             atom $i x ${xnew}
+set             atom 81 x ${xnew}
+set             atom 81 x -0.0124798059463313
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 81 y ${ynew}
+set             atom 81 y 7.42678799953722
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1433   -2.9871562   -2.3396307   -2.3216601 
+    1434   -2.9871562   -2.3396307   -2.3298181 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 81 x ${x0}
+set atom 81 x 0.0322040319442937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 81 y ${y0}
+set atom 81 y 7.38692112293505
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 19
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.4949854779112
+variable        y0 equal ${yi}
+variable        y0 equal 0.0935324668884274
+
+set             atom $i x ${xnew}
+set             atom 19 x ${xnew}
+set             atom 19 x 9.43223741530057
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 19 y ${ynew}
+set             atom 19 y 0.0405578255653378
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1434   -2.9871562   -2.3396307   -2.3298181 
+    1435   -2.9871562   -2.3396307   -2.3019389 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 19 x ${x0}
+set atom 19 x 9.4949854779112
+  1 settings made for x
+set atom $i y ${y0}
+set atom 19 y ${y0}
+set atom 19 y 0.0935324668884274
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 84
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.63794375538607
+variable        y0 equal ${yi}
+variable        y0 equal 8.371298693791
+
+set             atom $i x ${xnew}
+set             atom 84 x ${xnew}
+set             atom 84 x 1.6689266550519
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 84 y ${ynew}
+set             atom 84 y 8.41608450330791
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1435   -2.9871562   -2.3396307   -2.3019389 
+    1436   -2.9871562   -2.3396307   -2.3282724 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 84 x ${x0}
+set atom 84 x 1.63794375538607
+  1 settings made for x
+set atom $i y ${y0}
+set atom 84 y ${y0}
+set atom 84 y 8.371298693791
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 23
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.07343188841992
+variable        y0 equal ${yi}
+variable        y0 equal 1.85961672446793
+
+set             atom $i x ${xnew}
+set             atom 23 x ${xnew}
+set             atom 23 x 1.17244046052151
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 23 y ${ynew}
+set             atom 23 y 1.7811094441182
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1436   -2.9871562   -2.3396307   -2.3282724 
+    1437   -2.9871562   -2.3396307   -2.2949709 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 23 x ${x0}
+set atom 23 x 1.07343188841992
+  1 settings made for x
+set atom $i y ${y0}
+set atom 23 y ${y0}
+set atom 23 y 1.85961672446793
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 42
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.500509889522458
+variable        y0 equal ${yi}
+variable        y0 equal 4.59161240214273
+
+set             atom $i x ${xnew}
+set             atom 42 x ${xnew}
+set             atom 42 x 0.413096089759732
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 42 y ${ynew}
+set             atom 42 y 4.51295533532068
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1437   -2.9871562   -2.3396307   -2.2949709 
+    1438   -2.9871562   -2.3396307   -2.2788579 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 42 x ${x0}
+set atom 42 x 0.500509889522458
+  1 settings made for x
+set atom $i y ${y0}
+set atom 42 y ${y0}
+set atom 42 y 4.59161240214273
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1789412740728
+variable        y0 equal ${yi}
+variable        y0 equal 2.78276804658273
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.2645297650358
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.78277354213098
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1438   -2.9871562   -2.3396307   -2.2788579 
+    1439   -2.9871562   -2.3396307   -2.3306331 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.1789412740728
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.78276804658273
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 73
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.42834627150613
+variable        y0 equal ${yi}
+variable        y0 equal 5.4691439980765
+
+set             atom $i x ${xnew}
+set             atom 73 x ${xnew}
+set             atom 73 x 6.44717097996789
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 73 y ${ynew}
+set             atom 73 y 5.51531081145007
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1439   -2.9871562   -2.3396307   -2.3306331 
+    1440   -2.9871562   -2.3396307   -2.3550195 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.35501953854671
+variable naccept equal ${increment}
+variable naccept equal 344
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 30
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.8951647126609
+variable        y0 equal ${yi}
+variable        y0 equal 2.85868977280953
+
+set             atom $i x ${xnew}
+set             atom 30 x ${xnew}
+set             atom 30 x 4.7967298471862
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 30 y ${ynew}
+set             atom 30 y 2.8725693819175
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1440   -2.9871562   -2.3550195   -2.3550195 
+    1441   -2.9871562   -2.3550195   -2.3357328 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 30 x ${x0}
+set atom 30 x 4.8951647126609
+  1 settings made for x
+set atom $i y ${y0}
+set atom 30 y ${y0}
+set atom 30 y 2.85868977280953
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.81688043712911
+variable        y0 equal ${yi}
+variable        y0 equal 8.38843538679179
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.82160441517171
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.38617150701579
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1441   -2.9871562   -2.3550195   -2.3357328 
+    1442   -2.9871562   -2.3550195   -2.3549408 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.35494083974892
+variable naccept equal ${increment}
+variable naccept equal 345
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 19
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.4949854779112
+variable        y0 equal ${yi}
+variable        y0 equal 0.0935324668884274
+
+set             atom $i x ${xnew}
+set             atom 19 x ${xnew}
+set             atom 19 x 9.58006417034742
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 19 y ${ynew}
+set             atom 19 y 0.167373013496399
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1442   -2.9871562   -2.3549408   -2.3549408 
+    1443   -2.9871562   -2.3549408   -2.3447817 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 19 x ${x0}
+set atom 19 x 9.4949854779112
+  1 settings made for x
+set atom $i y ${y0}
+set atom 19 y ${y0}
+set atom 19 y 0.0935324668884274
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.570630665222075
+variable        y0 equal ${yi}
+variable        y0 equal 0.909747691858138
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.506890590587523
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.879210634935225
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1443   -2.9871562   -2.3549408   -2.3447817 
+    1444   -2.9871562   -2.3549408   -2.3525027 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.570630665222075
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 0.909747691858138
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.11815181096249
+variable        y0 equal ${yi}
+variable        y0 equal 7.44427507248187
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.16306649764233
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.49052549925113
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1444   -2.9871562   -2.3549408   -2.3525027 
+    1445   -2.9871562   -2.3549408   -2.3407372 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.11815181096249
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.44427507248187
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.2292649034519
+variable        y0 equal ${yi}
+variable        y0 equal 0.913150580633014
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.2494753364582
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 0.96120479892525
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1445   -2.9871562   -2.3549408   -2.3407372 
+    1446   -2.9871562   -2.3549408    -2.349002 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 20 x ${x0}
+set atom 20 x 10.2292649034519
+  1 settings made for x
+set atom $i y ${y0}
+set atom 20 y ${y0}
+set atom 20 y 0.913150580633014
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 33
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.35099447487909
+variable        y0 equal ${yi}
+variable        y0 equal 1.92307773015564
+
+set             atom $i x ${xnew}
+set             atom 33 x ${xnew}
+set             atom 33 x 6.32729694365579
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 33 y ${ynew}
+set             atom 33 y 1.98108926198547
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1446   -2.9871562   -2.3549408    -2.349002 
+    1447   -2.9871562   -2.3549408    -2.338625 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 33 x ${x0}
+set atom 33 x 6.35099447487909
+  1 settings made for x
+set atom $i y ${y0}
+set atom 33 y ${y0}
+set atom 33 y 1.92307773015564
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 84
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.63794375538607
+variable        y0 equal ${yi}
+variable        y0 equal 8.371298693791
+
+set             atom $i x ${xnew}
+set             atom 84 x ${xnew}
+set             atom 84 x 1.60521225809832
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 84 y ${ynew}
+set             atom 84 y 8.29312797702846
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1447   -2.9871562   -2.3549408    -2.338625 
+    1448   -2.9871562   -2.3549408   -2.3400205 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 84 x ${x0}
+set atom 84 x 1.63794375538607
+  1 settings made for x
+set atom $i y ${y0}
+set atom 84 y ${y0}
+set atom 84 y 8.371298693791
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.46753388483297
+variable        y0 equal ${yi}
+variable        y0 equal 0.0335806965827942
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.42101664383184
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y 0.0289419174194336
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1448   -2.9871562   -2.3549408   -2.3400205 
+    1449   -2.9871562   -2.3549408   -2.3489485 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 15 x ${x0}
+set atom 15 x 7.46753388483297
+  1 settings made for x
+set atom $i y ${y0}
+set atom 15 y ${y0}
+set atom 15 y 0.0335806965827942
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 87
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.20964491128483
+variable        y0 equal ${yi}
+variable        y0 equal 7.4096286090877
+
+set             atom $i x ${xnew}
+set             atom 87 x ${xnew}
+set             atom 87 x 3.14979384898701
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 87 y ${ynew}
+set             atom 87 y 7.42056533422732
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1449   -2.9871562   -2.3549408   -2.3489485 
+    1450   -2.9871562   -2.3549408   -2.3401347 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 87 x ${x0}
+set atom 87 x 3.20964491128483
+  1 settings made for x
+set atom $i y ${y0}
+set atom 87 y ${y0}
+set atom 87 y 7.4096286090877
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 17
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.5157556430382
+variable        y0 equal ${yi}
+variable        y0 equal 9.18696020353168
+
+set             atom $i x ${xnew}
+set             atom 17 x ${xnew}
+set             atom 17 x 8.50623922505801
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 17 y ${ynew}
+set             atom 17 y 9.10736995447009
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1450   -2.9871562   -2.3549408   -2.3401347 
+    1451   -2.9871562   -2.3549408   -2.3234786 
+Loop time of 4.79221e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 17 x ${x0}
+set atom 17 x 8.5157556430382
+  1 settings made for x
+set atom $i y ${y0}
+set atom 17 y ${y0}
+set atom 17 y 9.18696020353168
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.2292649034519
+variable        y0 equal ${yi}
+variable        y0 equal 0.913150580633014
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.2046052936573
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 0.850503619420856
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1451   -2.9871562   -2.3549408   -2.3234786 
+    1452   -2.9871562   -2.3549408   -2.3476548 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 20 x ${x0}
+set atom 20 x 10.2292649034519
+  1 settings made for x
+set atom $i y ${y0}
+set atom 20 y ${y0}
+set atom 20 y 0.913150580633014
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 9
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.24272296507568
+variable        y0 equal ${yi}
+variable        y0 equal 9.33166872966618
+
+set             atom $i x ${xnew}
+set             atom 9 x ${xnew}
+set             atom 9 x 4.18006639559478
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 9 y ${ynew}
+set             atom 9 y 9.35423414218754
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1452   -2.9871562   -2.3549408   -2.3476548 
+    1453   -2.9871562   -2.3549408   -2.3370754 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 9 x ${x0}
+set atom 9 x 4.24272296507568
+  1 settings made for x
+set atom $i y ${y0}
+set atom 9 y ${y0}
+set atom 9 y 9.33166872966618
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 8
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.72333437720424
+variable        y0 equal ${yi}
+variable        y0 equal 1.06102300475869
+
+set             atom $i x ${xnew}
+set             atom 8 x ${xnew}
+set             atom 8 x 3.81610471526271
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 8 y ${ynew}
+set             atom 8 y 1.03987873386178
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1453   -2.9871562   -2.3549408   -2.3370754 
+    1454   -2.9871562   -2.3549408   -2.3346935 
+Loop time of 9.60827e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 8 x ${x0}
+set atom 8 x 3.72333437720424
+  1 settings made for x
+set atom $i y ${y0}
+set atom 8 y ${y0}
+set atom 8 y 1.06102300475869
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 67
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.31808795690099
+variable        y0 equal ${yi}
+variable        y0 equal 5.6091846699019
+
+set             atom $i x ${xnew}
+set             atom 67 x ${xnew}
+set             atom 67 x 3.33757749557058
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 67 y ${ynew}
+set             atom 67 y 5.5376607293387
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1454   -2.9871562   -2.3549408   -2.3346935 
+    1455   -2.9871562   -2.3549408   -2.3529558 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 67 x ${x0}
+set atom 67 x 3.31808795690099
+  1 settings made for x
+set atom $i y ${y0}
+set atom 67 y ${y0}
+set atom 67 y 5.6091846699019
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.15771750847207
+variable        y0 equal ${yi}
+variable        y0 equal 7.45649659958148
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.10216642061578
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.4698854359653
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1455   -2.9871562   -2.3549408   -2.3529558 
+    1456   -2.9871562   -2.3549408   -2.3411584 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.15771750847207
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.45649659958148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 39
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.48253180264112
+variable        y0 equal ${yi}
+variable        y0 equal 1.83061694285935
+
+set             atom $i x ${xnew}
+set             atom 39 x ${xnew}
+set             atom 39 x 9.40627809046384
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 39 y ${ynew}
+set             atom 39 y 1.79728998324936
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1456   -2.9871562   -2.3549408   -2.3411584 
+    1457   -2.9871562   -2.3549408   -2.2778194 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 39 x ${x0}
+set atom 39 x 9.48253180264112
+  1 settings made for x
+set atom $i y ${y0}
+set atom 39 y ${y0}
+set atom 39 y 1.83061694285935
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.77143823106718
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.71798951977655
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1457   -2.9871562   -2.3549408   -2.2778194 
+    1458   -2.9871562   -2.3549408   -2.3488871 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 8
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.72333437720424
+variable        y0 equal ${yi}
+variable        y0 equal 1.06102300475869
+
+set             atom $i x ${xnew}
+set             atom 8 x ${xnew}
+set             atom 8 x 3.81491672316676
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 8 y ${ynew}
+set             atom 8 y 1.09172373603616
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1458   -2.9871562   -2.3549408   -2.3488871 
+    1459   -2.9871562   -2.3549408   -2.3216644 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 8 x ${x0}
+set atom 8 x 3.72333437720424
+  1 settings made for x
+set atom $i y ${y0}
+set atom 8 y ${y0}
+set atom 8 y 1.06102300475869
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.07584694067344
+variable        y0 equal ${yi}
+variable        y0 equal 0.00976005792616981
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 2.10211095253333
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y -0.0511623024940572
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1459   -2.9871562   -2.3549408   -2.3216644 
+    1460   -2.9871562   -2.3549408   -2.3492762 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 5 x ${x0}
+set atom 5 x 2.07584694067344
+  1 settings made for x
+set atom $i y ${y0}
+set atom 5 y ${y0}
+set atom 5 y 0.00976005792616981
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.49823891638834
+variable        y0 equal ${yi}
+variable        y0 equal 3.73309955163132
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.51557409285624
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.75448479218613
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1460   -2.9871562   -2.3549408   -2.3492762 
+    1461   -2.9871562   -2.3549408   -2.3545015 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.35450153633404
+variable naccept equal ${increment}
+variable naccept equal 346
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.98549635687515
+variable        y0 equal ${yi}
+variable        y0 equal 2.82734158011773
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 7.04244712868377
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.89622831317284
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1461   -2.9871562   -2.3545015   -2.3545015 
+    1462   -2.9871562   -2.3545015   -2.3342387 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 34 x ${x0}
+set atom 34 x 6.98549635687515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 34 y ${y0}
+set atom 34 y 2.82734158011773
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 81
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0322040319442937
+variable        y0 equal ${yi}
+variable        y0 equal 7.38692112293505
+
+set             atom $i x ${xnew}
+set             atom 81 x ${xnew}
+set             atom 81 x 0.0856049180031011
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 81 y ${ynew}
+set             atom 81 y 7.28934710350298
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1462   -2.9871562   -2.3545015   -2.3342387 
+    1463   -2.9871562   -2.3545015    -2.320176 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 81 x ${x0}
+set atom 81 x 0.0322040319442937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 81 y ${y0}
+set atom 81 y 7.38692112293505
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.28738315184327
+variable        y0 equal ${yi}
+variable        y0 equal 1.92619390866823
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.26957070906373
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.93462480685777
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1463   -2.9871562   -2.3545015    -2.320176 
+    1464   -2.9871562   -2.3545015   -2.3542621 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.35426206390647
+variable naccept equal ${increment}
+variable naccept equal 347
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.9232274051427
+variable        y0 equal ${yi}
+variable        y0 equal 8.40573080696162
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.88698596913806
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.45666179575022
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1464   -2.9871562   -2.3542621   -2.3542621 
+    1465   -2.9871562   -2.3542621   -2.3444862 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 92 x ${x0}
+set atom 92 x 5.9232274051427
+  1 settings made for x
+set atom $i y ${y0}
+set atom 92 y ${y0}
+set atom 92 y 8.40573080696162
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 30
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.8951647126609
+variable        y0 equal ${yi}
+variable        y0 equal 2.85868977280953
+
+set             atom $i x ${xnew}
+set             atom 30 x ${xnew}
+set             atom 30 x 4.93120936989128
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 30 y ${ynew}
+set             atom 30 y 2.87007487984994
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1465   -2.9871562   -2.3542621   -2.3444862 
+    1466   -2.9871562   -2.3542621   -2.3423625 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 30 x ${x0}
+set atom 30 x 4.8951647126609
+  1 settings made for x
+set atom $i y ${y0}
+set atom 30 y ${y0}
+set atom 30 y 2.85868977280953
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 37
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.49348578610842
+variable        y0 equal ${yi}
+variable        y0 equal 1.80821938893861
+
+set             atom $i x ${xnew}
+set             atom 37 x ${xnew}
+set             atom 37 x 8.42770778098528
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 37 y ${ynew}
+set             atom 37 y 1.80480095527238
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1466   -2.9871562   -2.3542621   -2.3423625 
+    1467   -2.9871562   -2.3542621   -2.3471716 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 37 x ${x0}
+set atom 37 x 8.49348578610842
+  1 settings made for x
+set atom $i y ${y0}
+set atom 37 y ${y0}
+set atom 37 y 1.80821938893861
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.4157506708166
+variable        y0 equal ${yi}
+variable        y0 equal 6.43439372316829
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.4859779361746
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.51246143118373
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1467   -2.9871562   -2.3542621   -2.3471716 
+    1468   -2.9871562   -2.3542621   -2.2780837 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 80 x ${x0}
+set atom 80 x 10.4157506708166
+  1 settings made for x
+set atom $i y ${y0}
+set atom 80 y ${y0}
+set atom 80 y 6.43439372316829
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 67
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.31808795690099
+variable        y0 equal ${yi}
+variable        y0 equal 5.6091846699019
+
+set             atom $i x ${xnew}
+set             atom 67 x ${xnew}
+set             atom 67 x 3.22048578023473
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 67 y ${ynew}
+set             atom 67 y 5.56982244198518
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1468   -2.9871562   -2.3542621   -2.2780837 
+    1469   -2.9871562   -2.3542621   -2.3394138 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 67 x ${x0}
+set atom 67 x 3.31808795690099
+  1 settings made for x
+set atom $i y ${y0}
+set atom 67 y ${y0}
+set atom 67 y 5.6091846699019
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59001860499163
+variable        y0 equal ${yi}
+variable        y0 equal 4.68076303357049
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.57034656882067
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.74206749552651
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1469   -2.9871562   -2.3542621   -2.3394138 
+    1470   -2.9871562   -2.3542621   -2.3429202 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 44 x ${x0}
+set atom 44 x 1.59001860499163
+  1 settings made for x
+set atom $i y ${y0}
+set atom 44 y ${y0}
+set atom 44 y 4.68076303357049
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 84
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.63794375538607
+variable        y0 equal ${yi}
+variable        y0 equal 8.371298693791
+
+set             atom $i x ${xnew}
+set             atom 84 x ${xnew}
+set             atom 84 x 1.71282921910067
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 84 y ${ynew}
+set             atom 84 y 8.35723161615428
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1470   -2.9871562   -2.3542621   -2.3429202 
+    1471   -2.9871562   -2.3542621   -2.3384664 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 84 x ${x0}
+set atom 84 x 1.63794375538607
+  1 settings made for x
+set atom $i y ${y0}
+set atom 84 y ${y0}
+set atom 84 y 8.371298693791
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 99
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.7112571763861
+variable        y0 equal ${yi}
+variable        y0 equal 7.38156818475986
+
+set             atom $i x ${xnew}
+set             atom 99 x ${xnew}
+set             atom 99 x 9.75838735579131
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 99 y ${ynew}
+set             atom 99 y 7.39466700878406
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1471   -2.9871562   -2.3542621   -2.3384664 
+    1472   -2.9871562   -2.3542621   -2.3415954 
+Loop time of 0.0413148 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 99 x ${x0}
+set atom 99 x 9.7112571763861
+  1 settings made for x
+set atom $i y ${y0}
+set atom 99 y ${y0}
+set atom 99 y 7.38156818475986
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.16921079794274
+variable        y0 equal ${yi}
+variable        y0 equal 1.86157575032777
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.1170010391842
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.84430436275071
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1472   -2.9871562   -2.3542621   -2.3415954 
+    1473   -2.9871562   -2.3542621   -2.3478311 
+Loop time of 4.60148e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.16921079794274
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.86157575032777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 36
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.03611046670772
+variable        y0 equal ${yi}
+variable        y0 equal 2.66520280810693
+
+set             atom $i x ${xnew}
+set             atom 36 x ${xnew}
+set             atom 36 x 8.01815503238536
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 36 y ${ynew}
+set             atom 36 y 2.72729808064798
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1473   -2.9871562   -2.3542621   -2.3478311 
+    1474   -2.9871562   -2.3542621   -2.3694307 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.36943069019497
+variable naccept equal ${increment}
+variable naccept equal 348
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 75
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.54070384342442
+variable        y0 equal ${yi}
+variable        y0 equal 5.62746680920321
+
+set             atom $i x ${xnew}
+set             atom 75 x ${xnew}
+set             atom 75 x 7.61902609903584
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 75 y ${ynew}
+set             atom 75 y 5.61938893740374
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1474   -2.9871562   -2.3694307   -2.3694307 
+    1475   -2.9871562   -2.3694307   -2.3424105 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 75 x ${x0}
+set atom 75 x 7.54070384342442
+  1 settings made for x
+set atom $i y ${y0}
+set atom 75 y ${y0}
+set atom 75 y 5.62746680920321
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.2292649034519
+variable        y0 equal ${yi}
+variable        y0 equal 0.913150580633014
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.3007369045276
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 0.990353544462055
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1475   -2.9871562   -2.3694307   -2.3424105 
+    1476   -2.9871562   -2.3694307    -2.338617 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 20 x ${x0}
+set atom 20 x 10.2292649034519
+  1 settings made for x
+set atom $i y ${y0}
+set atom 20 y ${y0}
+set atom 20 y 0.913150580633014
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.87741336464225
+variable        y0 equal ${yi}
+variable        y0 equal 6.4556893421792
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.92941437601386
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.50210498110285
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1476   -2.9871562   -2.3694307    -2.338617 
+    1477   -2.9871562   -2.3694307   -2.3657876 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 4.87741336464225
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.4556893421792
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.07315314093276
+variable        y0 equal ${yi}
+variable        y0 equal 4.61574550026819
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 7.01011228838607
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.6700352584736
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1477   -2.9871562   -2.3694307   -2.3657876 
+    1478   -2.9871562   -2.3694307   -2.3704325 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.37043247392204
+variable naccept equal ${increment}
+variable naccept equal 349
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.95025718807079
+variable        y0 equal ${yi}
+variable        y0 equal 0.949378951299518
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 7.97699214814998
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 1.0015752632502
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1478   -2.9871562   -2.3704325   -2.3704325 
+    1479   -2.9871562   -2.3704325   -2.3514417 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 16 x ${x0}
+set atom 16 x 7.95025718807079
+  1 settings made for x
+set atom $i y ${y0}
+set atom 16 y ${y0}
+set atom 16 y 0.949378951299518
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.89080204048797
+variable        y0 equal ${yi}
+variable        y0 equal 0.962413962591011
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.90751540938064
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 0.986440892923195
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1479   -2.9871562   -2.3704325   -2.3514417 
+    1480   -2.9871562   -2.3704325   -2.3657376 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 14 x ${x0}
+set atom 14 x 6.89080204048797
+  1 settings made for x
+set atom $i y ${y0}
+set atom 14 y ${y0}
+set atom 14 y 0.962413962591011
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 73
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.44717097996789
+variable        y0 equal ${yi}
+variable        y0 equal 5.51531081145007
+
+set             atom $i x ${xnew}
+set             atom 73 x ${xnew}
+set             atom 73 x 6.48661776303369
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 73 y ${ynew}
+set             atom 73 y 5.46587549393374
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1480   -2.9871562   -2.3704325   -2.3657376 
+    1481   -2.9871562   -2.3704325   -2.3460946 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 73 x ${x0}
+set atom 73 x 6.44717097996789
+  1 settings made for x
+set atom $i y ${y0}
+set atom 73 y ${y0}
+set atom 73 y 5.51531081145007
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 95
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.50331240732442
+variable        y0 equal ${yi}
+variable        y0 equal 7.44483136263156
+
+set             atom $i x ${xnew}
+set             atom 95 x ${xnew}
+set             atom 95 x 7.49140014488469
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 95 y ${ynew}
+set             atom 95 y 7.41911385383868
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1481   -2.9871562   -2.3704325   -2.3460946 
+    1482   -2.9871562   -2.3704325   -2.3675316 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 95 x ${x0}
+set atom 95 x 7.50331240732442
+  1 settings made for x
+set atom $i y ${y0}
+set atom 95 y ${y0}
+set atom 95 y 7.44483136263156
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.89080204048797
+variable        y0 equal ${yi}
+variable        y0 equal 0.962413962591011
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.83668004551574
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 0.92783373187812
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1482   -2.9871562   -2.3704325   -2.3675316 
+    1483   -2.9871562   -2.3704325   -2.3601997 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 14 x ${x0}
+set atom 14 x 6.89080204048797
+  1 settings made for x
+set atom $i y ${y0}
+set atom 14 y ${y0}
+set atom 14 y 0.962413962591011
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.545649071136379
+variable        y0 equal ${yi}
+variable        y0 equal 2.77431966039041
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.531227107444668
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.8529121873031
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1483   -2.9871562   -2.3704325   -2.3601997 
+    1484   -2.9871562   -2.3704325   -2.3415874 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.545649071136379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.77431966039041
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.26957070906373
+variable        y0 equal ${yi}
+variable        y0 equal 1.93462480685777
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.31467411596986
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.91953432939119
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1484   -2.9871562   -2.3704325   -2.3415874 
+    1485   -2.9871562   -2.3704325   -2.3675499 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.26957070906373
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.93462480685777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.545649071136379
+variable        y0 equal ${yi}
+variable        y0 equal 2.77431966039041
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.543227596679592
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.7043867466102
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1485   -2.9871562   -2.3704325   -2.3675499 
+    1486   -2.9871562   -2.3704325   -2.3621885 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.545649071136379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.77431966039041
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0228117227554322
+variable        y0 equal ${yi}
+variable        y0 equal 1.82412650964326
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x -0.00960502624511712
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 1.92084378383226
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1486   -2.9871562   -2.3704325   -2.3621885 
+    1487   -2.9871562   -2.3704325   -2.3649158 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 21 x ${x0}
+set atom 21 x 0.0228117227554322
+  1 settings made for x
+set atom $i y ${y0}
+set atom 21 y ${y0}
+set atom 21 y 1.82412650964326
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 100
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1610254410764
+variable        y0 equal ${yi}
+variable        y0 equal 8.2609955064207
+
+set             atom $i x ${xnew}
+set             atom 100 x ${xnew}
+set             atom 100 x 10.1299862031003
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 100 y ${ynew}
+set             atom 100 y 8.32108940996227
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1487   -2.9871562   -2.3704325   -2.3649158 
+    1488   -2.9871562   -2.3704325   -2.3726887 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.37268873021352
+variable naccept equal ${increment}
+variable naccept equal 350
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.07584694067344
+variable        y0 equal ${yi}
+variable        y0 equal 0.00976005792616981
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 2.09751490990028
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y -0.0679888486862264
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1488   -2.9871562   -2.3726887   -2.3726887 
+    1489   -2.9871562   -2.3726887   -2.3612272 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 5 x ${x0}
+set atom 5 x 2.07584694067344
+  1 settings made for x
+set atom $i y ${y0}
+set atom 5 y ${y0}
+set atom 5 y 0.00976005792616981
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.78193971434718
+variable        y0 equal ${yi}
+variable        y0 equal 8.31736352361736
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.7289076856721
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.40347735799846
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1489   -2.9871562   -2.3726887   -2.3612272 
+    1490   -2.9871562   -2.3726887   -2.3663291 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.78193971434718
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.31736352361736
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.0769247591386
+variable        y0 equal ${yi}
+variable        y0 equal 8.24582147516306
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.10414947866298
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.21895248807962
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1490   -2.9871562   -2.3726887   -2.3663291 
+    1491   -2.9871562   -2.3726887   -2.3605677 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.0769247591386
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.24582147516306
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.82160441517171
+variable        y0 equal ${yi}
+variable        y0 equal 8.38617150701579
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.73079706072148
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.29423174776134
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1491   -2.9871562   -2.3726887   -2.3605677 
+    1492   -2.9871562   -2.3726887   -2.3271389 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 90 x ${x0}
+set atom 90 x 4.82160441517171
+  1 settings made for x
+set atom $i y ${y0}
+set atom 90 y ${y0}
+set atom 90 y 8.38617150701579
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.54351456640837
+variable        y0 equal ${yi}
+variable        y0 equal 3.68936000628603
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.58711407660124
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.62950555844439
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1492   -2.9871562   -2.3726887   -2.3271389 
+    1493   -2.9871562   -2.3726887   -2.3717984 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 59 x ${x0}
+set atom 59 x 9.54351456640837
+  1 settings made for x
+set atom $i y ${y0}
+set atom 59 y ${y0}
+set atom 59 y 3.68936000628603
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 75
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.54070384342442
+variable        y0 equal ${yi}
+variable        y0 equal 5.62746680920321
+
+set             atom $i x ${xnew}
+set             atom 75 x ${xnew}
+set             atom 75 x 7.50203043062458
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 75 y ${ynew}
+set             atom 75 y 5.62832393591601
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1493   -2.9871562   -2.3726887   -2.3717984 
+    1494   -2.9871562   -2.3726887   -2.3710469 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 75 x ${x0}
+set atom 75 x 7.54070384342442
+  1 settings made for x
+set atom $i y ${y0}
+set atom 75 y ${y0}
+set atom 75 y 5.62746680920321
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 63
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.04039912541561
+variable        y0 equal ${yi}
+variable        y0 equal 5.56148483698564
+
+set             atom $i x ${xnew}
+set             atom 63 x ${xnew}
+set             atom 63 x 1.00235855897121
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 63 y ${ynew}
+set             atom 63 y 5.63126721327501
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1494   -2.9871562   -2.3726887   -2.3710469 
+    1495   -2.9871562   -2.3726887   -2.3366292 
+Loop time of 4.69685e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 63 x ${x0}
+set atom 63 x 1.04039912541561
+  1 settings made for x
+set atom $i y ${y0}
+set atom 63 y ${y0}
+set atom 63 y 5.56148483698564
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.570630665222075
+variable        y0 equal ${yi}
+variable        y0 equal 0.909747691858138
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.647087474265959
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.910117705571975
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1495   -2.9871562   -2.3726887   -2.3366292 
+    1496   -2.9871562   -2.3726887   -2.3602876 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.570630665222075
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 0.909747691858138
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 17
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.5157556430382
+variable        y0 equal ${yi}
+variable        y0 equal 9.18696020353168
+
+set             atom $i x ${xnew}
+set             atom 17 x ${xnew}
+set             atom 17 x 8.44088740506594
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 17 y ${ynew}
+set             atom 17 y 9.25733234393924
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1496   -2.9871562   -2.3726887   -2.3602876 
+    1497   -2.9871562   -2.3726887    -2.375232 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.37523195612152
+variable naccept equal ${increment}
+variable naccept equal 351
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.30100279251004
+variable        y0 equal ${yi}
+variable        y0 equal 7.47468527879977
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.2965234319296
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.50021761980319
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1497   -2.9871562    -2.375232    -2.375232 
+    1498   -2.9871562    -2.375232   -2.3695333 
+Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 91 x ${x0}
+set atom 91 x 5.30100279251004
+  1 settings made for x
+set atom $i y ${y0}
+set atom 91 y ${y0}
+set atom 91 y 7.47468527879977
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.36479252655717
+variable        y0 equal ${yi}
+variable        y0 equal 7.37975311603808
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.32252682526322
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.38917808857226
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1498   -2.9871562    -2.375232   -2.3695333 
+    1499   -2.9871562    -2.375232   -2.3947686 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.39476858179107
+variable naccept equal ${increment}
+variable naccept equal 352
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.96878697831622
+variable        y0 equal ${yi}
+variable        y0 equal 6.53832680717936
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 5.9446061368703
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.48542789951792
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1499   -2.9871562   -2.3947686   -2.3947686 
+    1500   -2.9871562   -2.3947686   -2.3943736 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 72 x ${x0}
+set atom 72 x 5.96878697831622
+  1 settings made for x
+set atom $i y ${y0}
+set atom 72 y ${y0}
+set atom 72 y 6.53832680717936
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.96878697831622
+variable        y0 equal ${yi}
+variable        y0 equal 6.53832680717936
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 6.0639265533208
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.469044120469
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1500   -2.9871562   -2.3947686   -2.3943736 
+    1501   -2.9871562   -2.3947686   -2.3845998 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 72 x ${x0}
+set atom 72 x 5.96878697831622
+  1 settings made for x
+set atom $i y ${y0}
+set atom 72 y ${y0}
+set atom 72 y 6.53832680717936
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 95
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.50331240732442
+variable        y0 equal ${yi}
+variable        y0 equal 7.44483136263156
+
+set             atom $i x ${xnew}
+set             atom 95 x ${xnew}
+set             atom 95 x 7.43179693062078
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 95 y ${ynew}
+set             atom 95 y 7.46337099399829
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1501   -2.9871562   -2.3947686   -2.3845998 
+    1502   -2.9871562   -2.3947686   -2.3813945 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 95 x ${x0}
+set atom 95 x 7.50331240732442
+  1 settings made for x
+set atom $i y ${y0}
+set atom 95 y ${y0}
+set atom 95 y 7.44483136263156
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 66
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.78488953311874
+variable        y0 equal ${yi}
+variable        y0 equal 6.49416505829325
+
+set             atom $i x ${xnew}
+set             atom 66 x ${xnew}
+set             atom 66 x 2.78527783353759
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 66 y ${ynew}
+set             atom 66 y 6.5906715227746
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1502   -2.9871562   -2.3947686   -2.3813945 
+    1503   -2.9871562   -2.3947686   -2.3569088 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 66 x ${x0}
+set atom 66 x 2.78488953311874
+  1 settings made for x
+set atom $i y ${y0}
+set atom 66 y ${y0}
+set atom 66 y 6.49416505829325
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.28582660038682
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.58978760187823
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1503   -2.9871562   -2.3947686   -2.3569088 
+    1504   -2.9871562   -2.3947686   -2.3725089 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 93
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.45546932934839
+variable        y0 equal ${yi}
+variable        y0 equal 7.46753717985414
+
+set             atom $i x ${xnew}
+set             atom 93 x ${xnew}
+set             atom 93 x 6.39690632342417
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 93 y ${ynew}
+set             atom 93 y 7.56180018511079
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1504   -2.9871562   -2.3947686   -2.3725089 
+    1505   -2.9871562   -2.3947686   -2.3762551 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 93 x ${x0}
+set atom 93 x 6.45546932934839
+  1 settings made for x
+set atom $i y ${y0}
+set atom 93 y ${y0}
+set atom 93 y 7.46753717985414
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 10
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.77766234516441
+variable        y0 equal ${yi}
+variable        y0 equal 0.927607925641864
+
+set             atom $i x ${xnew}
+set             atom 10 x ${xnew}
+set             atom 10 x 4.83681716560661
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 10 y ${ynew}
+set             atom 10 y 0.978899713266223
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1505   -2.9871562   -2.3947686   -2.3762551 
+    1506   -2.9871562   -2.3947686   -2.3926418 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 10 x ${x0}
+set atom 10 x 4.77766234516441
+  1 settings made for x
+set atom $i y ${y0}
+set atom 10 y ${y0}
+set atom 10 y 0.927607925641864
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.67657356142779
+variable        y0 equal ${yi}
+variable        y0 equal 6.46560488478176
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.64003955006381
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.50845887199871
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1506   -2.9871562   -2.3947686   -2.3926418 
+    1507   -2.9871562   -2.3947686   -2.3868438 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.67657356142779
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.46560488478176
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 74
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.09398345032379
+variable        y0 equal ${yi}
+variable        y0 equal 6.52802731529703
+
+set             atom $i x ${xnew}
+set             atom 74 x ${xnew}
+set             atom 74 x 7.01612979450867
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 74 y ${ynew}
+set             atom 74 y 6.42892779842844
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1507   -2.9871562   -2.3947686   -2.3868438 
+    1508   -2.9871562   -2.3947686   -2.3888315 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 74 x ${x0}
+set atom 74 x 7.09398345032379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 74 y ${y0}
+set atom 74 y 6.52802731529703
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.41745940843489
+variable        y0 equal ${yi}
+variable        y0 equal 5.54884942715364
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.34412993589308
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.60858879034715
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1508   -2.9871562   -2.3947686   -2.3888315 
+    1509   -2.9871562   -2.3947686   -2.3651189 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 71 x ${x0}
+set atom 71 x 5.41745940843489
+  1 settings made for x
+set atom $i y ${y0}
+set atom 71 y ${y0}
+set atom 71 y 5.54884942715364
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.64134974360247
+variable        y0 equal ${yi}
+variable        y0 equal 0.972303231466143
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.54811446547289
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 1.07000118087563
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1509   -2.9871562   -2.3947686   -2.3651189 
+    1510   -2.9871562   -2.3947686   -2.3320875 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 4 x ${x0}
+set atom 4 x 1.64134974360247
+  1 settings made for x
+set atom $i y ${y0}
+set atom 4 y ${y0}
+set atom 4 y 0.972303231466143
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.26957070906373
+variable        y0 equal ${yi}
+variable        y0 equal 1.93462480685777
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.35171856959077
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.87056308171815
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1510   -2.9871562   -2.3947686   -2.3320875 
+    1511   -2.9871562   -2.3947686   -2.3740969 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.26957070906373
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.93462480685777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.32212101617719
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y -0.0430850386619593
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1511   -2.9871562   -2.3947686   -2.3740969 
+    1512   -2.9871562   -2.3947686    -2.391497 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.26957070906373
+variable        y0 equal ${yi}
+variable        y0 equal 1.93462480685777
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.19859944660874
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.98951424739427
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1512   -2.9871562   -2.3947686    -2.391497 
+    1513   -2.9871562   -2.3947686   -2.3656805 
+Loop time of 4.50611e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.26957070906373
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.93462480685777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.2292649034519
+variable        y0 equal ${yi}
+variable        y0 equal 0.913150580633014
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.2425577644367
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 0.970871837842792
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1513   -2.9871562   -2.3947686   -2.3656805 
+    1514   -2.9871562   -2.3947686   -2.3885654 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 20 x ${x0}
+set atom 20 x 10.2292649034519
+  1 settings made for x
+set atom $i y ${y0}
+set atom 20 y ${y0}
+set atom 20 y 0.913150580633014
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 3
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.984874358970454
+variable        y0 equal ${yi}
+variable        y0 equal 9.19249844062656
+
+set             atom $i x ${xnew}
+set             atom 3 x ${xnew}
+set             atom 3 x 1.01880672295742
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 3 y ${ynew}
+set             atom 3 y 9.13399792421192
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1514   -2.9871562   -2.3947686   -2.3885654 
+    1515   -2.9871562   -2.3947686   -2.3735659 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 3 x ${x0}
+set atom 3 x 0.984874358970454
+  1 settings made for x
+set atom $i y ${y0}
+set atom 3 y ${y0}
+set atom 3 y 9.19249844062656
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.19388546387063
+variable        y0 equal ${yi}
+variable        y0 equal 3.77270575328004
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.26030419508325
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.80438035292756
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1515   -2.9871562   -2.3947686   -2.3735659 
+    1516   -2.9871562   -2.3947686   -2.3784183 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 45 x ${x0}
+set atom 45 x 2.19388546387063
+  1 settings made for x
+set atom $i y ${y0}
+set atom 45 y ${y0}
+set atom 45 y 3.77270575328004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.82160441517171
+variable        y0 equal ${yi}
+variable        y0 equal 8.38617150701579
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.79340949892339
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.35282856144008
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1516   -2.9871562   -2.3947686   -2.3784183 
+    1517   -2.9871562   -2.3947686   -2.3895593 
+Loop time of 0.041553 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 90 x ${x0}
+set atom 90 x 4.82160441517171
+  1 settings made for x
+set atom $i y ${y0}
+set atom 90 y ${y0}
+set atom 90 y 8.38617150701579
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 66
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.78488953311874
+variable        y0 equal ${yi}
+variable        y0 equal 6.49416505829325
+
+set             atom $i x ${xnew}
+set             atom 66 x ${xnew}
+set             atom 66 x 2.68760706384613
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 66 y ${ynew}
+set             atom 66 y 6.50340765253535
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1517   -2.9871562   -2.3947686   -2.3895593 
+    1518   -2.9871562   -2.3947686   -2.3989298 
+Loop time of 4.69685e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.3989297516472
+variable naccept equal ${increment}
+variable naccept equal 353
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.51557409285624
+variable        y0 equal ${yi}
+variable        y0 equal 3.75448479218613
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.47277295111735
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.83231308026444
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1518   -2.9871562   -2.3989298   -2.3989298 
+    1519   -2.9871562   -2.3989298    -2.322835 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 53 x ${x0}
+set atom 53 x 6.51557409285624
+  1 settings made for x
+set atom $i y ${y0}
+set atom 53 y ${y0}
+set atom 53 y 3.75448479218613
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 3
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.984874358970454
+variable        y0 equal ${yi}
+variable        y0 equal 9.19249844062656
+
+set             atom $i x ${xnew}
+set             atom 3 x ${xnew}
+set             atom 3 x 0.978389027911952
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 3 y ${ynew}
+set             atom 3 y 9.14079703796238
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1519   -2.9871562   -2.3989298    -2.322835 
+    1520   -2.9871562   -2.3989298   -2.3810115 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 3 x ${x0}
+set atom 3 x 0.984874358970454
+  1 settings made for x
+set atom $i y ${y0}
+set atom 3 y ${y0}
+set atom 3 y 9.19249844062656
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 17
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.44088740506594
+variable        y0 equal ${yi}
+variable        y0 equal 9.25733234393924
+
+set             atom $i x ${xnew}
+set             atom 17 x ${xnew}
+set             atom 17 x 8.36980580249254
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 17 y ${ynew}
+set             atom 17 y 9.26625304925769
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1520   -2.9871562   -2.3989298   -2.3810115 
+    1521   -2.9871562   -2.3989298   -2.3457274 
+Loop time of 8.79765e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 17 x ${x0}
+set atom 17 x 8.44088740506594
+  1 settings made for x
+set atom $i y ${y0}
+set atom 17 y ${y0}
+set atom 17 y 9.25733234393924
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.67657356142779
+variable        y0 equal ${yi}
+variable        y0 equal 6.46560488478176
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.59741409897586
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.52782576815121
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1521   -2.9871562   -2.3989298   -2.3457274 
+    1522   -2.9871562   -2.3989298   -2.3756913 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.67657356142779
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.46560488478176
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 76
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.12744101880885
+variable        y0 equal ${yi}
+variable        y0 equal 6.56631985441675
+
+set             atom $i x ${xnew}
+set             atom 76 x ${xnew}
+set             atom 76 x 8.14046489595271
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 76 y ${ynew}
+set             atom 76 y 6.63681157366266
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1522   -2.9871562   -2.3989298   -2.3756913 
+    1523   -2.9871562   -2.3989298   -2.3663314 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 76 x ${x0}
+set atom 76 x 8.12744101880885
+  1 settings made for x
+set atom $i y ${y0}
+set atom 76 y ${y0}
+set atom 76 y 6.56631985441675
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 97
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.64328949609225
+variable        y0 equal ${yi}
+variable        y0 equal 7.40728055563236
+
+set             atom $i x ${xnew}
+set             atom 97 x ${xnew}
+set             atom 97 x 8.61642004409259
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 97 y ${ynew}
+set             atom 97 y 7.32140074100757
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1523   -2.9871562   -2.3989298   -2.3663314 
+    1524   -2.9871562   -2.3989298   -2.3237529 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 97 x ${x0}
+set atom 97 x 8.64328949609225
+  1 settings made for x
+set atom $i y ${y0}
+set atom 97 y ${y0}
+set atom 97 y 7.40728055563236
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.26957070906373
+variable        y0 equal ${yi}
+variable        y0 equal 1.93462480685777
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.29730551321717
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.92375522039003
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1524   -2.9871562   -2.3989298   -2.3237529 
+    1525   -2.9871562   -2.3989298   -2.3985482 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.26957070906373
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.93462480685777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 36
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.01815503238536
+variable        y0 equal ${yi}
+variable        y0 equal 2.72729808064798
+
+set             atom $i x ${xnew}
+set             atom 36 x ${xnew}
+set             atom 36 x 7.98089035152293
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 36 y ${ynew}
+set             atom 36 y 2.77439453574518
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1525   -2.9871562   -2.3989298   -2.3985482 
+    1526   -2.9871562   -2.3989298   -2.3921063 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 36 x ${x0}
+set atom 36 x 8.01815503238536
+  1 settings made for x
+set atom $i y ${y0}
+set atom 36 y ${y0}
+set atom 36 y 2.72729808064798
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 41
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0739950656890791
+variable        y0 equal ${yi}
+variable        y0 equal 3.67012049718035
+
+set             atom $i x ${xnew}
+set             atom 41 x ${xnew}
+set             atom 41 x 0.142978250980369
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 41 y ${ynew}
+set             atom 41 y 3.69816256327761
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1526   -2.9871562   -2.3989298   -2.3921063 
+    1527   -2.9871562   -2.3989298   -2.3736839 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 41 x ${x0}
+set atom 41 x 0.0739950656890791
+  1 settings made for x
+set atom $i y ${y0}
+set atom 41 y ${y0}
+set atom 41 y 3.67012049718035
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 82
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.44764589826193
+variable        y0 equal ${yi}
+variable        y0 equal 8.32563534893091
+
+set             atom $i x ${xnew}
+set             atom 82 x ${xnew}
+set             atom 82 x 0.378554792800809
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 82 y ${ynew}
+set             atom 82 y 8.28918507017191
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1527   -2.9871562   -2.3989298   -2.3736839 
+    1528   -2.9871562   -2.3989298   -2.3771126 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 82 x ${x0}
+set atom 82 x 0.44764589826193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 82 y ${y0}
+set atom 82 y 8.32563534893091
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.96878697831622
+variable        y0 equal ${yi}
+variable        y0 equal 6.53832680717936
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 5.92538883645526
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.57909677759638
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1528   -2.9871562   -2.3989298   -2.3771126 
+    1529   -2.9871562   -2.3989298   -2.3942368 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 72 x ${x0}
+set atom 72 x 5.96878697831622
+  1 settings made for x
+set atom $i y ${y0}
+set atom 72 y ${y0}
+set atom 72 y 6.53832680717936
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 95
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.50331240732442
+variable        y0 equal ${yi}
+variable        y0 equal 7.44483136263156
+
+set             atom $i x ${xnew}
+set             atom 95 x ${xnew}
+set             atom 95 x 7.43818752605687
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 95 y ${ynew}
+set             atom 95 y 7.49267847862506
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1529   -2.9871562   -2.3989298   -2.3942368 
+    1530   -2.9871562   -2.3989298   -2.3839477 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 95 x ${x0}
+set atom 95 x 7.50331240732442
+  1 settings made for x
+set atom $i y ${y0}
+set atom 95 y ${y0}
+set atom 95 y 7.44483136263156
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80759401837473
+variable        y0 equal ${yi}
+variable        y0 equal 4.6440585290806
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.80756586114054
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.67291865700647
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1530   -2.9871562   -2.3989298   -2.3839477 
+    1531   -2.9871562   -2.3989298   -2.3963064 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 48 x ${x0}
+set atom 48 x 3.80759401837473
+  1 settings made for x
+set atom $i y ${y0}
+set atom 48 y ${y0}
+set atom 48 y 4.6440585290806
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 56
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.10189970134594
+variable        y0 equal ${yi}
+variable        y0 equal 4.6733581578152
+
+set             atom $i x ${xnew}
+set             atom 56 x ${xnew}
+set             atom 56 x 8.18322487472393
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 56 y ${ynew}
+set             atom 56 y 4.72661550396846
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1531   -2.9871562   -2.3989298   -2.3963064 
+    1532   -2.9871562   -2.3989298   -2.3379857 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 56 x ${x0}
+set atom 56 x 8.10189970134594
+  1 settings made for x
+set atom $i y ${y0}
+set atom 56 y ${y0}
+set atom 56 y 4.6733581578152
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.9899615760564
+variable        y0 equal ${yi}
+variable        y0 equal 4.5907792245762
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 5.92891080338947
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.54894819611474
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1532   -2.9871562   -2.3989298   -2.3379857 
+    1533   -2.9871562   -2.3989298   -2.3559536 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 52 x ${x0}
+set atom 52 x 5.9899615760564
+  1 settings made for x
+set atom $i y ${y0}
+set atom 52 y ${y0}
+set atom 52 y 4.5907792245762
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 24
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.63001570582171
+variable        y0 equal ${yi}
+variable        y0 equal 2.83223057957987
+
+set             atom $i x ${xnew}
+set             atom 24 x ${xnew}
+set             atom 24 x 1.66828639387866
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 24 y ${ynew}
+set             atom 24 y 2.88654494258265
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1533   -2.9871562   -2.3989298   -2.3559536 
+    1534   -2.9871562   -2.3989298   -2.3810364 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 24 x ${x0}
+set atom 24 x 1.63001570582171
+  1 settings made for x
+set atom $i y ${y0}
+set atom 24 y ${y0}
+set atom 24 y 2.83223057957987
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.9232274051427
+variable        y0 equal ${yi}
+variable        y0 equal 8.40573080696162
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.87285548408023
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.36937119878825
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1534   -2.9871562   -2.3989298   -2.3810364 
+    1535   -2.9871562   -2.3989298   -2.4000834 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.40008344278539
+variable naccept equal ${increment}
+variable naccept equal 354
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6911063273601
+variable        y0 equal ${yi}
+variable        y0 equal 5.45732250158982
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x 10.7156234820537
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.41986849253373
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1535   -2.9871562   -2.4000834   -2.4000834 
+    1536   -2.9871562   -2.4000834   -2.3980907 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 61 x ${x0}
+set atom 61 x 10.6911063273601
+  1 settings made for x
+set atom $i y ${y0}
+set atom 61 y ${y0}
+set atom 61 y 5.45732250158982
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 39
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.48253180264112
+variable        y0 equal ${yi}
+variable        y0 equal 1.83061694285935
+
+set             atom $i x ${xnew}
+set             atom 39 x ${xnew}
+set             atom 39 x 9.47581311939832
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 39 y ${ynew}
+set             atom 39 y 1.92239302775925
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1536   -2.9871562   -2.4000834   -2.3980907 
+    1537   -2.9871562   -2.4000834   -2.3582416 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 39 x ${x0}
+set atom 39 x 9.48253180264112
+  1 settings made for x
+set atom $i y ${y0}
+set atom 39 y ${y0}
+set atom 39 y 1.83061694285935
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 43
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.15410325844937
+variable        y0 equal ${yi}
+variable        y0 equal 3.75003771348131
+
+set             atom $i x ${xnew}
+set             atom 43 x ${xnew}
+set             atom 43 x 1.08761530240231
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 43 y ${ynew}
+set             atom 43 y 3.78302318616045
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1537   -2.9871562   -2.4000834   -2.3582416 
+    1538   -2.9871562   -2.4000834   -2.3929544 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 43 x ${x0}
+set atom 43 x 1.15410325844937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 43 y ${y0}
+set atom 43 y 3.75003771348131
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.67657356142779
+variable        y0 equal ${yi}
+variable        y0 equal 6.46560488478176
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.74849980950137
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.52998331324093
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1538   -2.9871562   -2.4000834   -2.3929544 
+    1539   -2.9871562   -2.4000834   -2.3696392 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.67657356142779
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.46560488478176
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 66
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.68760706384613
+variable        y0 equal ${yi}
+variable        y0 equal 6.50340765253535
+
+set             atom $i x ${xnew}
+set             atom 66 x ${xnew}
+set             atom 66 x 2.74727117021515
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 66 y ${ynew}
+set             atom 66 y 6.50648560062877
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1539   -2.9871562   -2.4000834   -2.3696392 
+    1540   -2.9871562   -2.4000834   -2.4024073 
+Loop time of 4.81606e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.40240727661624
+variable naccept equal ${increment}
+variable naccept equal 355
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.01011228838607
+variable        y0 equal ${yi}
+variable        y0 equal 4.6700352584736
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 7.01414261141463
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.70482259148523
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1540   -2.9871562   -2.4024073   -2.4024073 
+    1541   -2.9871562   -2.4024073    -2.398619 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.01011228838607
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.6700352584736
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.51557409285624
+variable        y0 equal ${yi}
+variable        y0 equal 3.75448479218613
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.48506571768839
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.79474062485825
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1541   -2.9871562   -2.4024073    -2.398619 
+    1542   -2.9871562   -2.4024073   -2.3734887 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 53 x ${x0}
+set atom 53 x 6.51557409285624
+  1 settings made for x
+set atom $i y ${y0}
+set atom 53 y ${y0}
+set atom 53 y 3.75448479218613
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 62
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.654104717174436
+variable        y0 equal ${yi}
+variable        y0 equal 6.49111358658304
+
+set             atom $i x ${xnew}
+set             atom 62 x ${xnew}
+set             atom 62 x 0.623349864879514
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 62 y ${ynew}
+set             atom 62 y 6.45182680622568
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1542   -2.9871562   -2.4024073   -2.3734887 
+    1543   -2.9871562   -2.4024073   -2.3889221 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 62 x ${x0}
+set atom 62 x 0.654104717174436
+  1 settings made for x
+set atom $i y ${y0}
+set atom 62 y ${y0}
+set atom 62 y 6.49111358658304
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.9899615760564
+variable        y0 equal ${yi}
+variable        y0 equal 4.5907792245762
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 5.98997799117557
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.51863608712121
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1543   -2.9871562   -2.4024073   -2.3889221 
+    1544   -2.9871562   -2.4024073   -2.3393202 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 52 x ${x0}
+set atom 52 x 5.9899615760564
+  1 settings made for x
+set atom $i y ${y0}
+set atom 52 y ${y0}
+set atom 52 y 4.5907792245762
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.70897163351011
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.7654593741314
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1544   -2.9871562   -2.4024073   -2.3393202 
+    1545   -2.9871562   -2.4024073   -2.3672502 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31064851680662
+variable        y0 equal ${yi}
+variable        y0 equal 1.91864991567201
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.33098243871595
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 1.91473032615251
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1545   -2.9871562   -2.4024073   -2.3672502 
+    1546   -2.9871562   -2.4024073   -2.4028897 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.402889690925
+variable naccept equal ${increment}
+variable naccept equal 356
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.0769247591386
+variable        y0 equal ${yi}
+variable        y0 equal 8.24582147516306
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.05432130693294
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.31604041971262
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1546   -2.9871562   -2.4028897   -2.4028897 
+    1547   -2.9871562   -2.4028897   -2.4135028 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.41350275655875
+variable naccept equal ${increment}
+variable naccept equal 357
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.99518160540611
+variable        y0 equal ${yi}
+variable        y0 equal 0.952992590177384
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 8.93669414240867
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 0.956166060674515
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1547   -2.9871562   -2.4135028   -2.4135028 
+    1548   -2.9871562   -2.4135028   -2.4011092 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 18 x ${x0}
+set atom 18 x 8.99518160540611
+  1 settings made for x
+set atom $i y ${y0}
+set atom 18 y ${y0}
+set atom 18 y 0.952992590177384
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 68
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80623258868343
+variable        y0 equal ${yi}
+variable        y0 equal 6.50073292986383
+
+set             atom $i x ${xnew}
+set             atom 68 x ${xnew}
+set             atom 68 x 3.76841570654995
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 68 y ${ynew}
+set             atom 68 y 6.49030009047021
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1548   -2.9871562   -2.4135028   -2.4011092 
+    1549   -2.9871562   -2.4135028    -2.406732 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 68 x ${x0}
+set atom 68 x 3.80623258868343
+  1 settings made for x
+set atom $i y ${y0}
+set atom 68 y ${y0}
+set atom 68 y 6.50073292986383
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.4157506708166
+variable        y0 equal ${yi}
+variable        y0 equal 6.43439372316829
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.4319753173849
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.37492761150829
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1549   -2.9871562   -2.4135028    -2.406732 
+    1550   -2.9871562   -2.4135028   -2.3841926 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 80 x ${x0}
+set atom 80 x 10.4157506708166
+  1 settings made for x
+set atom $i y ${y0}
+set atom 80 y ${y0}
+set atom 80 y 6.43439372316829
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.35812983591767
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.60456684773166
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1550   -2.9871562   -2.4135028   -2.3841926 
+    1551   -2.9871562   -2.4135028   -2.4029863 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.15771750847207
+variable        y0 equal ${yi}
+variable        y0 equal 7.45649659958148
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.20183300415383
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.41552632179522
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1551   -2.9871562   -2.4135028   -2.4029863 
+    1552   -2.9871562   -2.4135028   -2.4110719 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.15771750847207
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.45649659958148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.11815181096249
+variable        y0 equal ${yi}
+variable        y0 equal 7.44427507248187
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.04148236830883
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.50534394111895
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1552   -2.9871562   -2.4135028   -2.4110719 
+    1553   -2.9871562   -2.4135028   -2.4025804 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.11815181096249
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.44427507248187
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 87
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.20964491128483
+variable        y0 equal ${yi}
+variable        y0 equal 7.4096286090877
+
+set             atom $i x ${xnew}
+set             atom 87 x ${xnew}
+set             atom 87 x 3.11934221744099
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 87 y ${ynew}
+set             atom 87 y 7.43679926719927
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1553   -2.9871562   -2.4135028   -2.4025804 
+    1554   -2.9871562   -2.4135028   -2.3842954 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 87 x ${x0}
+set atom 87 x 3.20964491128483
+  1 settings made for x
+set atom $i y ${y0}
+set atom 87 y ${y0}
+set atom 87 y 7.4096286090877
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 8
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.72333437720424
+variable        y0 equal ${yi}
+variable        y0 equal 1.06102300475869
+
+set             atom $i x ${xnew}
+set             atom 8 x ${xnew}
+set             atom 8 x 3.73376749077922
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 8 y ${ynew}
+set             atom 8 y 1.11453597139153
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1554   -2.9871562   -2.4135028   -2.3842954 
+    1555   -2.9871562   -2.4135028   -2.3989597 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 8 x ${x0}
+set atom 8 x 3.72333437720424
+  1 settings made for x
+set atom $i y ${y0}
+set atom 8 y ${y0}
+set atom 8 y 1.06102300475869
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.4157506708166
+variable        y0 equal ${yi}
+variable        y0 equal 6.43439372316829
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.359936702635
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.46727336184016
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1555   -2.9871562   -2.4135028   -2.3989597 
+    1556   -2.9871562   -2.4135028   -2.4263412 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.42634115734079
+variable naccept equal ${increment}
+variable naccept equal 358
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.05432130693294
+variable        y0 equal ${yi}
+variable        y0 equal 8.31604041971262
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.03264479040004
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.33840985216196
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1556   -2.9871562   -2.4263412   -2.4263412 
+    1557   -2.9871562   -2.4263412   -2.4231086 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.05432130693294
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.31604041971262
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 98
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.14319008309395
+variable        y0 equal ${yi}
+variable        y0 equal 8.37685922302302
+
+set             atom $i x ${xnew}
+set             atom 98 x ${xnew}
+set             atom 98 x 9.12701122481377
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 98 y ${ynew}
+set             atom 98 y 8.33418250001963
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1557   -2.9871562   -2.4263412   -2.4231086 
+    1558   -2.9871562   -2.4263412   -2.4276285 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.42762852693561
+variable naccept equal ${increment}
+variable naccept equal 359
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.67657356142779
+variable        y0 equal ${yi}
+variable        y0 equal 6.46560488478176
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.68984863638659
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.46641751066677
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1558   -2.9871562   -2.4276285   -2.4276285 
+    1559   -2.9871562   -2.4276285   -2.4281053 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.4281053079419
+variable naccept equal ${increment}
+variable naccept equal 360
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 95
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.50331240732442
+variable        y0 equal ${yi}
+variable        y0 equal 7.44483136263156
+
+set             atom $i x ${xnew}
+set             atom 95 x ${xnew}
+set             atom 95 x 7.42159998256932
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 95 y ${ynew}
+set             atom 95 y 7.3825335654285
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1559   -2.9871562   -2.4281053   -2.4281053 
+    1560   -2.9871562   -2.4281053    -2.366014 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 95 x ${x0}
+set atom 95 x 7.50331240732442
+  1 settings made for x
+set atom $i y ${y0}
+set atom 95 y ${y0}
+set atom 95 y 7.44483136263156
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.26957070906373
+variable        y0 equal ${yi}
+variable        y0 equal 1.93462480685777
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.20944970925065
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.86484851024217
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1560   -2.9871562   -2.4281053    -2.366014 
+    1561   -2.9871562   -2.4281053   -2.3953244 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.26957070906373
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.93462480685777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 84
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.63794375538607
+variable        y0 equal ${yi}
+variable        y0 equal 8.371298693791
+
+set             atom $i x ${xnew}
+set             atom 84 x ${xnew}
+set             atom 84 x 1.67651214480181
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 84 y ${ynew}
+set             atom 84 y 8.4309720984846
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1561   -2.9871562   -2.4281053   -2.3953244 
+    1562   -2.9871562   -2.4281053   -2.4095055 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 84 x ${x0}
+set atom 84 x 1.63794375538607
+  1 settings made for x
+set atom $i y ${y0}
+set atom 84 y ${y0}
+set atom 84 y 8.371298693791
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.24420675992527
+variable        y0 equal ${yi}
+variable        y0 equal 3.73567457957399
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.190625069137
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.76847841305864
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1562   -2.9871562   -2.4281053   -2.4095055 
+    1563   -2.9871562   -2.4281053   -2.4160381 
+Loop time of 4.81606e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 47 x ${x0}
+set atom 47 x 3.24420675992527
+  1 settings made for x
+set atom $i y ${y0}
+set atom 47 y ${y0}
+set atom 47 y 3.73567457957399
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 79
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.71175088165876
+variable        y0 equal ${yi}
+variable        y0 equal 5.71374509279924
+
+set             atom $i x ${xnew}
+set             atom 79 x ${xnew}
+set             atom 79 x 9.66362923859236
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 79 y ${ynew}
+set             atom 79 y 5.65359488671022
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1563   -2.9871562   -2.4281053   -2.4160381 
+    1564   -2.9871562   -2.4281053   -2.4433903 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.44339029158283
+variable naccept equal ${increment}
+variable naccept equal 361
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.98549635687515
+variable        y0 equal ${yi}
+variable        y0 equal 2.82734158011773
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 7.00084288397476
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.84184651347497
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1564   -2.9871562   -2.4433903   -2.4433903 
+    1565   -2.9871562   -2.4433903   -2.4409578 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 34 x ${x0}
+set atom 34 x 6.98549635687515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 34 y ${y0}
+set atom 34 y 2.82734158011773
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.54351456640837
+variable        y0 equal ${yi}
+variable        y0 equal 3.68936000628603
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.5929076838362
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.72936759753359
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1565   -2.9871562   -2.4433903   -2.4409578 
+    1566   -2.9871562   -2.4433903   -2.4411512 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 59 x ${x0}
+set atom 59 x 9.54351456640837
+  1 settings made for x
+set atom $i y ${y0}
+set atom 59 y ${y0}
+set atom 59 y 3.68936000628603
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 26
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.65343800981474
+variable        y0 equal ${yi}
+variable        y0 equal 2.85940663787225
+
+set             atom $i x ${xnew}
+set             atom 26 x ${xnew}
+set             atom 26 x 2.63744316299391
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 26 y ${ynew}
+set             atom 26 y 2.79807102652887
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1566   -2.9871562   -2.4433903   -2.4411512 
+    1567   -2.9871562   -2.4433903    -2.432475 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 26 x ${x0}
+set atom 26 x 2.65343800981474
+  1 settings made for x
+set atom $i y ${y0}
+set atom 26 y ${y0}
+set atom 26 y 2.85940663787225
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 32
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.90086858232013
+variable        y0 equal ${yi}
+variable        y0 equal 2.85332814427712
+
+set             atom $i x ${xnew}
+set             atom 32 x ${xnew}
+set             atom 32 x 5.83833728988162
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 32 y ${ynew}
+set             atom 32 y 2.78881570073464
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1567   -2.9871562   -2.4433903    -2.432475 
+    1568   -2.9871562   -2.4433903   -2.4197482 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 32 x ${x0}
+set atom 32 x 5.90086858232013
+  1 settings made for x
+set atom $i y ${y0}
+set atom 32 y ${y0}
+set atom 32 y 2.85332814427712
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.9899615760564
+variable        y0 equal ${yi}
+variable        y0 equal 4.5907792245762
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 5.9666222687482
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.61283609026834
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1568   -2.9871562   -2.4433903   -2.4197482 
+    1569   -2.9871562   -2.4433903    -2.450896 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.45089604834326
+variable naccept equal ${increment}
+variable naccept equal 362
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.64134974360247
+variable        y0 equal ${yi}
+variable        y0 equal 0.972303231466143
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.64789438128252
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 0.922867055642931
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1569   -2.9871562    -2.450896    -2.450896 
+    1570   -2.9871562    -2.450896   -2.4501527 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 4 x ${x0}
+set atom 4 x 1.64134974360247
+  1 settings made for x
+set atom $i y ${y0}
+set atom 4 y ${y0}
+set atom 4 y 0.972303231466143
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 32
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.90086858232013
+variable        y0 equal ${yi}
+variable        y0 equal 2.85332814427712
+
+set             atom $i x ${xnew}
+set             atom 32 x ${xnew}
+set             atom 32 x 5.91190459687701
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 32 y ${ynew}
+set             atom 32 y 2.9168249961982
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1570   -2.9871562    -2.450896   -2.4501527 
+    1571   -2.9871562    -2.450896    -2.414906 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 32 x ${x0}
+set atom 32 x 5.90086858232013
+  1 settings made for x
+set atom $i y ${y0}
+set atom 32 y ${y0}
+set atom 32 y 2.85332814427712
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.79425577123594
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.71696392649575
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1571   -2.9871562    -2.450896    -2.414906 
+    1572   -2.9871562    -2.450896    -2.442271 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 33
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.35099447487909
+variable        y0 equal ${yi}
+variable        y0 equal 1.92307773015564
+
+set             atom $i x ${xnew}
+set             atom 33 x ${xnew}
+set             atom 33 x 6.31307516812402
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 33 y ${ynew}
+set             atom 33 y 2.0131173529393
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1572   -2.9871562    -2.450896    -2.442271 
+    1573   -2.9871562    -2.450896   -2.4094404 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 33 x ${x0}
+set atom 33 x 6.35099447487909
+  1 settings made for x
+set atom $i y ${y0}
+set atom 33 y ${y0}
+set atom 33 y 1.92307773015564
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 98
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.12701122481377
+variable        y0 equal ${yi}
+variable        y0 equal 8.33418250001963
+
+set             atom $i x ${xnew}
+set             atom 98 x ${xnew}
+set             atom 98 x 9.10987235028298
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 98 y ${ynew}
+set             atom 98 y 8.24169441379603
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1573   -2.9871562    -2.450896   -2.4094404 
+    1574   -2.9871562    -2.450896    -2.425377 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 98 x ${x0}
+set atom 98 x 9.12701122481377
+  1 settings made for x
+set atom $i y ${y0}
+set atom 98 y ${y0}
+set atom 98 y 8.33418250001963
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 60
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1148146752378
+variable        y0 equal ${yi}
+variable        y0 equal 4.54698911065027
+
+set             atom $i x ${xnew}
+set             atom 60 x ${xnew}
+set             atom 60 x 10.1937845949194
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 60 y ${ynew}
+set             atom 60 y 4.50690371149942
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1574   -2.9871562    -2.450896    -2.425377 
+    1575   -2.9871562    -2.450896   -2.4472713 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 60 x ${x0}
+set atom 60 x 10.1148146752378
+  1 settings made for x
+set atom $i y ${y0}
+set atom 60 y ${y0}
+set atom 60 y 4.54698911065027
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.46130012352677
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.61915866081912
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1575   -2.9871562    -2.450896   -2.4472713 
+    1576   -2.9871562    -2.450896   -2.3933961 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.545649071136379
+variable        y0 equal ${yi}
+variable        y0 equal 2.77431966039041
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.518098004260921
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.82347578975061
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1576   -2.9871562    -2.450896   -2.3933961 
+    1577   -2.9871562    -2.450896   -2.4346731 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.545649071136379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.77431966039041
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.570630665222075
+variable        y0 equal ${yi}
+variable        y0 equal 0.909747691858138
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.551106055179503
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.916648920286025
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1577   -2.9871562    -2.450896   -2.4346731 
+    1578   -2.9871562    -2.450896   -2.4499629 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.570630665222075
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 0.909747691858138
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.19388546387063
+variable        y0 equal ${yi}
+variable        y0 equal 3.77270575328004
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.19677552620278
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.74732179207933
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1578   -2.9871562    -2.450896   -2.4499629 
+    1579   -2.9871562    -2.450896   -2.4469368 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 45 x ${x0}
+set atom 45 x 2.19388546387063
+  1 settings made for x
+set atom $i y ${y0}
+set atom 45 y ${y0}
+set atom 45 y 3.77270575328004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.359936702635
+variable        y0 equal ${yi}
+variable        y0 equal 6.46727336184016
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.3705631975195
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.40602213875285
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1579   -2.9871562    -2.450896   -2.4469368 
+    1580   -2.9871562    -2.450896   -2.4440866 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 80 x ${x0}
+set atom 80 x 10.359936702635
+  1 settings made for x
+set atom $i y ${y0}
+set atom 80 y ${y0}
+set atom 80 y 6.46727336184016
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 66
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74727117021515
+variable        y0 equal ${yi}
+variable        y0 equal 6.50648560062877
+
+set             atom $i x ${xnew}
+set             atom 66 x ${xnew}
+set             atom 66 x 2.7040228505893
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 66 y ${ynew}
+set             atom 66 y 6.44690098301402
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1580   -2.9871562    -2.450896   -2.4440866 
+    1581   -2.9871562    -2.450896   -2.4407533 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 66 x ${x0}
+set atom 66 x 2.74727117021515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 66 y ${y0}
+set atom 66 y 6.50648560062877
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 9
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.24272296507568
+variable        y0 equal ${yi}
+variable        y0 equal 0.0256201386451842
+
+set             atom $i x ${xnew}
+set             atom 9 x ${xnew}
+set             atom 9 x 4.1565468915245
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 9 y ${ynew}
+set             atom 9 y 0.0289194703102233
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1581   -2.9871562    -2.450896   -2.4407533 
+    1582   -2.9871562    -2.450896   -2.4177739 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 9 x ${x0}
+set atom 9 x 4.24272296507568
+  1 settings made for x
+set atom $i y ${y0}
+set atom 9 y ${y0}
+set atom 9 y 0.0256201386451842
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.26957070906373
+variable        y0 equal ${yi}
+variable        y0 equal 1.93462480685777
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.22549367029878
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 2.01229957721299
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1582   -2.9871562    -2.450896   -2.4177739 
+    1583   -2.9871562    -2.450896   -2.4198831 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.26957070906373
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.93462480685777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.01011228838607
+variable        y0 equal ${yi}
+variable        y0 equal 4.6700352584736
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 7.03265675583526
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.71612462157174
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1583   -2.9871562    -2.450896   -2.4198831 
+    1584   -2.9871562    -2.450896   -2.4468019 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.01011228838607
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.6700352584736
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.32252682526322
+variable        y0 equal ${yi}
+variable        y0 equal 7.38917808857226
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.32961675007554
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.36659027662539
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1584   -2.9871562    -2.450896   -2.4468019 
+    1585   -2.9871562    -2.450896   -2.4463638 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 89 x ${x0}
+set atom 89 x 4.32252682526322
+  1 settings made for x
+set atom $i y ${y0}
+set atom 89 y ${y0}
+set atom 89 y 7.38917808857226
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.87285548408023
+variable        y0 equal ${yi}
+variable        y0 equal 8.36937119878825
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.87724522311679
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.46197051919993
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1585   -2.9871562    -2.450896   -2.4463638 
+    1586   -2.9871562    -2.450896   -2.4379866 
+Loop time of 4.69685e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 92 x ${x0}
+set atom 92 x 5.87285548408023
+  1 settings made for x
+set atom $i y ${y0}
+set atom 92 y ${y0}
+set atom 92 y 8.36937119878825
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.32252682526322
+variable        y0 equal ${yi}
+variable        y0 equal 7.38917808857226
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.33374774534913
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.43485917177462
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1586   -2.9871562    -2.450896   -2.4379866 
+    1587   -2.9871562    -2.450896   -2.4464075 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 89 x ${x0}
+set atom 89 x 4.32252682526322
+  1 settings made for x
+set atom $i y ${y0}
+set atom 89 y ${y0}
+set atom 89 y 7.38917808857226
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.69106418092681
+variable        y0 equal ${yi}
+variable        y0 equal 0.920749815214004
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.77234693963958
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 0.824113794076766
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1587   -2.9871562    -2.450896   -2.4464075 
+    1588   -2.9871562    -2.450896   -2.3879891 
+Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 6 x ${x0}
+set atom 6 x 2.69106418092681
+  1 settings made for x
+set atom $i y ${y0}
+set atom 6 y ${y0}
+set atom 6 y 0.920749815214004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.72103913028669
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.65216712111398
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1588   -2.9871562    -2.450896   -2.3879891 
+    1589   -2.9871562    -2.450896   -2.4497105 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 36
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.01815503238536
+variable        y0 equal ${yi}
+variable        y0 equal 2.72729808064798
+
+set             atom $i x ${xnew}
+set             atom 36 x ${xnew}
+set             atom 36 x 7.92817657588817
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 36 y ${ynew}
+set             atom 36 y 2.75761023732523
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1589   -2.9871562    -2.450896   -2.4497105 
+    1590   -2.9871562    -2.450896   -2.4216358 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 36 x ${x0}
+set atom 36 x 8.01815503238536
+  1 settings made for x
+set atom $i y ${y0}
+set atom 36 y ${y0}
+set atom 36 y 2.72729808064798
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 19
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.4949854779112
+variable        y0 equal ${yi}
+variable        y0 equal 0.0935324668884274
+
+set             atom $i x ${xnew}
+set             atom 19 x ${xnew}
+set             atom 19 x 9.43935335157987
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 19 y ${ynew}
+set             atom 19 y 0.181804287433624
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1590   -2.9871562    -2.450896   -2.4216358 
+    1591   -2.9871562    -2.450896   -2.3627865 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 19 x ${x0}
+set atom 19 x 9.4949854779112
+  1 settings made for x
+set atom $i y ${y0}
+set atom 19 y ${y0}
+set atom 19 y 0.0935324668884274
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 27
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.19226642608205
+variable        y0 equal ${yi}
+variable        y0 equal 1.99900682351654
+
+set             atom $i x ${xnew}
+set             atom 27 x ${xnew}
+set             atom 27 x 3.24639992475072
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 27 y ${ynew}
+set             atom 27 y 1.99716008088654
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1591   -2.9871562    -2.450896   -2.3627865 
+    1592   -2.9871562    -2.450896     -2.44952 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 27 x ${x0}
+set atom 27 x 3.19226642608205
+  1 settings made for x
+set atom $i y ${y0}
+set atom 27 y ${y0}
+set atom 27 y 1.99900682351654
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.16921079794274
+variable        y0 equal ${yi}
+variable        y0 equal 1.86157575032777
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.20775610844002
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.88048305890626
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1592   -2.9871562    -2.450896     -2.44952 
+    1593   -2.9871562    -2.450896    -2.445357 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.16921079794274
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.86157575032777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.40156468867379
+variable        y0 equal ${yi}
+variable        y0 equal 0.00304889678955437
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.32220930575448
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y -0.00712080001830696
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1593   -2.9871562    -2.450896    -2.445357 
+    1594   -2.9871562    -2.450896   -2.4380856 
+Loop time of 3.88622e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 13 x ${x0}
+set atom 13 x 6.40156468867379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 13 y ${y0}
+set atom 13 y 0.00304889678955437
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 27
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.19226642608205
+variable        y0 equal ${yi}
+variable        y0 equal 1.99900682351654
+
+set             atom $i x ${xnew}
+set             atom 27 x ${xnew}
+set             atom 27 x 3.13920174598256
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 27 y ${ynew}
+set             atom 27 y 1.95148386142319
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1594   -2.9871562    -2.450896   -2.4380856 
+    1595   -2.9871562    -2.450896   -2.4418101 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 27 x ${x0}
+set atom 27 x 3.19226642608205
+  1 settings made for x
+set atom $i y ${y0}
+set atom 27 y ${y0}
+set atom 27 y 1.99900682351654
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 79
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.66362923859236
+variable        y0 equal ${yi}
+variable        y0 equal 5.65359488671022
+
+set             atom $i x ${xnew}
+set             atom 79 x ${xnew}
+set             atom 79 x 9.56943165539381
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 79 y ${ynew}
+set             atom 79 y 5.74421563093858
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1595   -2.9871562    -2.450896   -2.4418101 
+    1596   -2.9871562    -2.450896   -2.3633962 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 79 x ${x0}
+set atom 79 x 9.66362923859236
+  1 settings made for x
+set atom $i y ${y0}
+set atom 79 y ${y0}
+set atom 79 y 5.65359488671022
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 39
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.48253180264112
+variable        y0 equal ${yi}
+variable        y0 equal 1.83061694285935
+
+set             atom $i x ${xnew}
+set             atom 39 x ${xnew}
+set             atom 39 x 9.44950131653425
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 39 y ${ynew}
+set             atom 39 y 1.89429413459366
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1596   -2.9871562    -2.450896   -2.3633962 
+    1597   -2.9871562    -2.450896   -2.4099102 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 39 x ${x0}
+set atom 39 x 9.48253180264112
+  1 settings made for x
+set atom $i y ${y0}
+set atom 39 y ${y0}
+set atom 39 y 1.83061694285935
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.32252682526322
+variable        y0 equal ${yi}
+variable        y0 equal 7.38917808857226
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.40152424652787
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.30963915910983
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1597   -2.9871562    -2.450896   -2.4099102 
+    1598   -2.9871562    -2.450896   -2.3864102 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 89 x ${x0}
+set atom 89 x 4.32252682526322
+  1 settings made for x
+set atom $i y ${y0}
+set atom 89 y ${y0}
+set atom 89 y 7.38917808857226
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 79
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.66362923859236
+variable        y0 equal ${yi}
+variable        y0 equal 5.65359488671022
+
+set             atom $i x ${xnew}
+set             atom 79 x ${xnew}
+set             atom 79 x 9.6686991858351
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 79 y ${ynew}
+set             atom 79 y 5.60080496018129
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1598   -2.9871562    -2.450896   -2.3864102 
+    1599   -2.9871562    -2.450896    -2.446004 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 79 x ${x0}
+set atom 79 x 9.66362923859236
+  1 settings made for x
+set atom $i y ${y0}
+set atom 79 y ${y0}
+set atom 79 y 5.65359488671022
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.30100279251004
+variable        y0 equal ${yi}
+variable        y0 equal 7.47468527879977
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.27225010791684
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.49067966070437
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1599   -2.9871562    -2.450896    -2.446004 
+    1600   -2.9871562    -2.450896   -2.4338001 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 91 x ${x0}
+set atom 91 x 5.30100279251004
+  1 settings made for x
+set atom $i y ${y0}
+set atom 91 y ${y0}
+set atom 91 y 7.47468527879977
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.30100279251004
+variable        y0 equal ${yi}
+variable        y0 equal 7.47468527879977
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.34481133619214
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.55117000665927
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1600   -2.9871562    -2.450896   -2.4338001 
+    1601   -2.9871562    -2.450896   -2.4348585 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 91 x ${x0}
+set atom 91 x 5.30100279251004
+  1 settings made for x
+set atom $i y ${y0}
+set atom 91 y ${y0}
+set atom 91 y 7.47468527879977
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 27
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.19226642608205
+variable        y0 equal ${yi}
+variable        y0 equal 1.99900682351654
+
+set             atom $i x ${xnew}
+set             atom 27 x ${xnew}
+set             atom 27 x 3.18523547410527
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 27 y ${ynew}
+set             atom 27 y 1.96640520474976
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1601   -2.9871562    -2.450896   -2.4348585 
+    1602   -2.9871562    -2.450896   -2.4532371 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.45323711314221
+variable naccept equal ${increment}
+variable naccept equal 363
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.08689599949867
+variable        y0 equal ${yi}
+variable        y0 equal 4.81755102032586
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 9.05197459179909
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.83638495558663
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1602   -2.9871562   -2.4532371   -2.4532371 
+    1603   -2.9871562   -2.4532371   -2.4336762 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 58 x ${x0}
+set atom 58 x 9.08689599949867
+  1 settings made for x
+set atom $i y ${y0}
+set atom 58 y ${y0}
+set atom 58 y 4.81755102032586
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 43
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.15410325844937
+variable        y0 equal ${yi}
+variable        y0 equal 3.75003771348131
+
+set             atom $i x ${xnew}
+set             atom 43 x ${xnew}
+set             atom 43 x 1.19775084574872
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 43 y ${ynew}
+set             atom 43 y 3.69769621653688
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1603   -2.9871562   -2.4532371   -2.4336762 
+    1604   -2.9871562   -2.4532371   -2.4350276 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 43 x ${x0}
+set atom 43 x 1.15410325844937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 43 y ${y0}
+set atom 43 y 3.75003771348131
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 39
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.48253180264112
+variable        y0 equal ${yi}
+variable        y0 equal 1.83061694285935
+
+set             atom $i x ${xnew}
+set             atom 39 x ${xnew}
+set             atom 39 x 9.50094277142164
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 39 y ${ynew}
+set             atom 39 y 1.79520596644944
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1604   -2.9871562   -2.4532371   -2.4350276 
+    1605   -2.9871562   -2.4532371   -2.4589266 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.45892664860956
+variable naccept equal ${increment}
+variable naccept equal 364
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.24420675992527
+variable        y0 equal ${yi}
+variable        y0 equal 3.73567457957399
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.21471879243412
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.81803830428255
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1605   -2.9871562   -2.4589266   -2.4589266 
+    1606   -2.9871562   -2.4589266   -2.4408121 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 47 x ${x0}
+set atom 47 x 3.24420675992527
+  1 settings made for x
+set atom $i y ${y0}
+set atom 47 y ${y0}
+set atom 47 y 3.73567457957399
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.9666222687482
+variable        y0 equal ${yi}
+variable        y0 equal 4.61283609026834
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 5.90822091062061
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.56071637028619
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1606   -2.9871562   -2.4589266   -2.4408121 
+    1607   -2.9871562   -2.4589266   -2.4064133 
+Loop time of 7.60555e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 52 x ${x0}
+set atom 52 x 5.9666222687482
+  1 settings made for x
+set atom $i y ${y0}
+set atom 52 y ${y0}
+set atom 52 y 4.61283609026834
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.87285548408023
+variable        y0 equal ${yi}
+variable        y0 equal 8.36937119878825
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.82706710059634
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.37034611620006
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1607   -2.9871562   -2.4589266   -2.4064133 
+    1608   -2.9871562   -2.4589266   -2.4504734 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 92 x ${x0}
+set atom 92 x 5.87285548408023
+  1 settings made for x
+set atom $i y ${y0}
+set atom 92 y ${y0}
+set atom 92 y 8.36937119878825
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.16921079794274
+variable        y0 equal ${yi}
+variable        y0 equal 1.86157575032777
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.18803927341805
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.80503235242433
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1608   -2.9871562   -2.4589266   -2.4504734 
+    1609   -2.9871562   -2.4589266   -2.4441883 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.16921079794274
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.86157575032777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 63
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.04039912541561
+variable        y0 equal ${yi}
+variable        y0 equal 5.56148483698564
+
+set             atom $i x ${xnew}
+set             atom 63 x ${xnew}
+set             atom 63 x 1.09504661877804
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 63 y ${ynew}
+set             atom 63 y 5.64389145319658
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1609   -2.9871562   -2.4589266   -2.4441883 
+    1610   -2.9871562   -2.4589266   -2.4363972 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 63 x ${x0}
+set atom 63 x 1.04039912541561
+  1 settings made for x
+set atom $i y ${y0}
+set atom 63 y ${y0}
+set atom 63 y 5.56148483698564
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.87741336464225
+variable        y0 equal ${yi}
+variable        y0 equal 6.4556893421792
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.92132080435096
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.46895430819025
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1610   -2.9871562   -2.4589266   -2.4363972 
+    1611   -2.9871562   -2.4589266   -2.4578566 
+Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 4.87741336464225
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.4556893421792
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 43
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.15410325844937
+variable        y0 equal ${yi}
+variable        y0 equal 3.75003771348131
+
+set             atom $i x ${xnew}
+set             atom 43 x ${xnew}
+set             atom 43 x 1.15496849139386
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 43 y ${ynew}
+set             atom 43 y 3.68203727765215
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1611   -2.9871562   -2.4589266   -2.4578566 
+    1612   -2.9871562   -2.4589266   -2.4507873 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 43 x ${x0}
+set atom 43 x 1.15410325844937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 43 y ${y0}
+set atom 43 y 3.75003771348131
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.05432130693294
+variable        y0 equal ${yi}
+variable        y0 equal 8.31604041971262
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.06400009988643
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.28575677789743
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1612   -2.9871562   -2.4589266   -2.4507873 
+    1613   -2.9871562   -2.4589266   -2.4574311 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.05432130693294
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.31604041971262
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.2292649034519
+variable        y0 equal ${yi}
+variable        y0 equal 0.913150580633014
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.2236426238079
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 0.976471753824085
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1613   -2.9871562   -2.4589266   -2.4574311 
+    1614   -2.9871562   -2.4589266   -2.4542614 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 20 x ${x0}
+set atom 20 x 10.2292649034519
+  1 settings made for x
+set atom $i y ${y0}
+set atom 20 y ${y0}
+set atom 20 y 0.913150580633014
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.82160441517171
+variable        y0 equal ${yi}
+variable        y0 equal 8.38617150701579
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.82822895883855
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.37954178966578
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1614   -2.9871562   -2.4589266   -2.4542614 
+    1615   -2.9871562   -2.4589266   -2.4578942 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 90 x ${x0}
+set atom 90 x 4.82160441517171
+  1 settings made for x
+set atom $i y ${y0}
+set atom 90 y ${y0}
+set atom 90 y 8.38617150701579
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 78
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.15111655909569
+variable        y0 equal ${yi}
+variable        y0 equal 6.52915453449718
+
+set             atom $i x ${xnew}
+set             atom 78 x ${xnew}
+set             atom 78 x 9.09967429358513
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 78 y ${ynew}
+set             atom 78 y 6.50012155310146
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1615   -2.9871562   -2.4589266   -2.4578942 
+    1616   -2.9871562   -2.4589266     -2.44151 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 78 x ${x0}
+set atom 78 x 9.15111655909569
+  1 settings made for x
+set atom $i y ${y0}
+set atom 78 y ${y0}
+set atom 78 y 6.52915453449718
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0228117227554322
+variable        y0 equal ${yi}
+variable        y0 equal 1.82412650964326
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x -0.0191932797431945
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 1.84549867293901
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1616   -2.9871562   -2.4589266     -2.44151 
+    1617   -2.9871562   -2.4589266   -2.4626071 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.4626070936077
+variable naccept equal ${increment}
+variable naccept equal 365
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 99
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.7112571763861
+variable        y0 equal ${yi}
+variable        y0 equal 7.38156818475986
+
+set             atom $i x ${xnew}
+set             atom 99 x ${xnew}
+set             atom 99 x 9.76422745464919
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 99 y ${ynew}
+set             atom 99 y 7.4483330043819
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1617   -2.9871562   -2.4626071   -2.4626071 
+    1618   -2.9871562   -2.4626071   -2.4366013 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 99 x ${x0}
+set atom 99 x 9.7112571763861
+  1 settings made for x
+set atom $i y ${y0}
+set atom 99 y ${y0}
+set atom 99 y 7.38156818475986
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 100
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1299862031003
+variable        y0 equal ${yi}
+variable        y0 equal 8.32108940996227
+
+set             atom $i x ${xnew}
+set             atom 100 x ${xnew}
+set             atom 100 x 10.131702781107
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 100 y ${ynew}
+set             atom 100 y 8.31063791431484
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1618   -2.9871562   -2.4626071   -2.4366013 
+    1619   -2.9871562   -2.4626071    -2.462509 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.46250898762821
+variable naccept equal ${increment}
+variable naccept equal 366
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.33098243871595
+variable        y0 equal ${yi}
+variable        y0 equal 1.91473032615251
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.37719469467069
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 1.88595927140779
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1619   -2.9871562    -2.462509    -2.462509 
+    1620   -2.9871562    -2.462509   -2.4552999 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 31 x ${x0}
+set atom 31 x 5.33098243871595
+  1 settings made for x
+set atom $i y ${y0}
+set atom 31 y ${y0}
+set atom 31 y 1.91473032615251
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.69106418092681
+variable        y0 equal ${yi}
+variable        y0 equal 0.920749815214004
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.74029633005096
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 0.888885195958938
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1620   -2.9871562    -2.462509   -2.4552999 
+    1621   -2.9871562    -2.462509   -2.4490736 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 6 x ${x0}
+set atom 6 x 2.69106418092681
+  1 settings made for x
+set atom $i y ${y0}
+set atom 6 y ${y0}
+set atom 6 y 0.920749815214004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 30
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.8951647126609
+variable        y0 equal ${yi}
+variable        y0 equal 2.85868977280953
+
+set             atom $i x ${xnew}
+set             atom 30 x ${xnew}
+set             atom 30 x 4.90128215193092
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 30 y ${ynew}
+set             atom 30 y 2.91705642911294
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1621   -2.9871562    -2.462509   -2.4490736 
+    1622   -2.9871562    -2.462509   -2.4470635 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 30 x ${x0}
+set atom 30 x 4.8951647126609
+  1 settings made for x
+set atom $i y ${y0}
+set atom 30 y ${y0}
+set atom 30 y 2.85868977280953
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.46753388483297
+variable        y0 equal ${yi}
+variable        y0 equal 0.0335806965827942
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.46853647072088
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y -0.0272998213768005
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1622   -2.9871562    -2.462509   -2.4470635 
+    1623   -2.9871562    -2.462509   -2.4522103 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 15 x ${x0}
+set atom 15 x 7.46753388483297
+  1 settings made for x
+set atom $i y ${y0}
+set atom 15 y ${y0}
+set atom 15 y 0.0335806965827942
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 23
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.07343188841992
+variable        y0 equal ${yi}
+variable        y0 equal 1.85961672446793
+
+set             atom $i x ${xnew}
+set             atom 23 x ${xnew}
+set             atom 23 x 1.10123204310589
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 23 y ${ynew}
+set             atom 23 y 1.81472272059983
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1623   -2.9871562    -2.462509   -2.4522103 
+    1624   -2.9871562    -2.462509   -2.4543591 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 23 x ${x0}
+set atom 23 x 1.07343188841992
+  1 settings made for x
+set atom $i y ${y0}
+set atom 23 y ${y0}
+set atom 23 y 1.85961672446793
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.26957070906373
+variable        y0 equal ${yi}
+variable        y0 equal 1.93462480685777
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.30053722937318
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.83869626901216
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1624   -2.9871562    -2.462509   -2.4543591 
+    1625   -2.9871562    -2.462509   -2.4438595 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.26957070906373
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.93462480685777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 86
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.71264111001922
+variable        y0 equal ${yi}
+variable        y0 equal 8.37165092147884
+
+set             atom $i x ${xnew}
+set             atom 86 x ${xnew}
+set             atom 86 x 2.76135702331497
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 86 y ${ynew}
+set             atom 86 y 8.38866988338527
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1625   -2.9871562    -2.462509   -2.4438595 
+    1626   -2.9871562    -2.462509   -2.4576791 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 86 x ${x0}
+set atom 86 x 2.71264111001922
+  1 settings made for x
+set atom $i y ${y0}
+set atom 86 y ${y0}
+set atom 86 y 8.37165092147884
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.64134974360247
+variable        y0 equal ${yi}
+variable        y0 equal 0.972303231466143
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.60214187979479
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 0.896476121652453
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1626   -2.9871562    -2.462509   -2.4576791 
+    1627   -2.9871562    -2.462509   -2.4621171 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 4 x ${x0}
+set atom 4 x 1.64134974360247
+  1 settings made for x
+set atom $i y ${y0}
+set atom 4 y ${y0}
+set atom 4 y 0.972303231466143
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.87285548408023
+variable        y0 equal ${yi}
+variable        y0 equal 8.36937119878825
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.96364414651385
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.37514538682994
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1627   -2.9871562    -2.462509   -2.4621171 
+    1628   -2.9871562    -2.462509   -2.4576648 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 92 x ${x0}
+set atom 92 x 5.87285548408023
+  1 settings made for x
+set atom $i y ${y0}
+set atom 92 y ${y0}
+set atom 92 y 8.36937119878825
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.24420675992527
+variable        y0 equal ${yi}
+variable        y0 equal 3.73567457957399
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.27833752393284
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.71727128787172
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1628   -2.9871562    -2.462509   -2.4576648 
+    1629   -2.9871562    -2.462509   -2.4607841 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 47 x ${x0}
+set atom 47 x 3.24420675992527
+  1 settings made for x
+set atom $i y ${y0}
+set atom 47 y ${y0}
+set atom 47 y 3.73567457957399
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 98
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.12701122481377
+variable        y0 equal ${yi}
+variable        y0 equal 8.33418250001963
+
+set             atom $i x ${xnew}
+set             atom 98 x ${xnew}
+set             atom 98 x 9.09545654971154
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 98 y ${ynew}
+set             atom 98 y 8.37382508434351
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1629   -2.9871562    -2.462509   -2.4607841 
+    1630   -2.9871562    -2.462509   -2.4666251 
+Loop time of 4.72069e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.46662511657156
+variable naccept equal ${increment}
+variable naccept equal 367
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 79
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.66362923859236
+variable        y0 equal ${yi}
+variable        y0 equal 5.65359488671022
+
+set             atom $i x ${xnew}
+set             atom 79 x ${xnew}
+set             atom 79 x 9.66060930966017
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 79 y ${ynew}
+set             atom 79 y 5.5690174454947
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1630   -2.9871562   -2.4666251   -2.4666251 
+    1631   -2.9871562   -2.4666251   -2.4482748 
+Loop time of 8.89301e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 79 x ${x0}
+set atom 79 x 9.66362923859236
+  1 settings made for x
+set atom $i y ${y0}
+set atom 79 y ${y0}
+set atom 79 y 5.65359488671022
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 7
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.22492432355444
+variable        y0 equal ${yi}
+variable        y0 equal 0.0240613460540867
+
+set             atom $i x ${xnew}
+set             atom 7 x ${xnew}
+set             atom 7 x 3.17450014113943
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 7 y ${ynew}
+set             atom 7 y 0.112668931484232
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1631   -2.9871562   -2.4666251   -2.4482748 
+    1632   -2.9871562   -2.4666251   -2.4383935 
+Loop time of 4.29153e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 7 x ${x0}
+set atom 7 x 3.22492432355444
+  1 settings made for x
+set atom $i y ${y0}
+set atom 7 y ${y0}
+set atom 7 y 0.0240613460540867
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 87
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.20964491128483
+variable        y0 equal ${yi}
+variable        y0 equal 7.4096286090877
+
+set             atom $i x ${xnew}
+set             atom 87 x ${xnew}
+set             atom 87 x 3.19481903075733
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 87 y ${ynew}
+set             atom 87 y 7.44160034981036
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1632   -2.9871562   -2.4666251   -2.4383935 
+    1633   -2.9871562   -2.4666251    -2.465622 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 87 x ${x0}
+set atom 87 x 3.20964491128483
+  1 settings made for x
+set atom $i y ${y0}
+set atom 87 y ${y0}
+set atom 87 y 7.4096286090877
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.81670362273342
+variable        y0 equal ${yi}
+variable        y0 equal 2.85977786752084
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.76677564898617
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.77941135140756
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1633   -2.9871562   -2.4666251    -2.465622 
+    1634   -2.9871562   -2.4666251    -2.453689 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.81670362273342
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.85977786752084
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.96878697831622
+variable        y0 equal ${yi}
+variable        y0 equal 6.53832680717936
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 6.06502076346866
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.48564515844813
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1634   -2.9871562   -2.4666251    -2.453689 
+    1635   -2.9871562   -2.4666251   -2.4572285 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 72 x ${x0}
+set atom 72 x 5.96878697831622
+  1 settings made for x
+set atom $i y ${y0}
+set atom 72 y ${y0}
+set atom 72 y 6.53832680717936
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 95
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.50331240732442
+variable        y0 equal ${yi}
+variable        y0 equal 7.44483136263156
+
+set             atom $i x ${xnew}
+set             atom 95 x ${xnew}
+set             atom 95 x 7.50137958366643
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 95 y ${ynew}
+set             atom 95 y 7.52677786674762
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1635   -2.9871562   -2.4666251   -2.4572285 
+    1636   -2.9871562   -2.4666251    -2.450463 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 95 x ${x0}
+set atom 95 x 7.50331240732442
+  1 settings made for x
+set atom $i y ${y0}
+set atom 95 y ${y0}
+set atom 95 y 7.44483136263156
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.46753388483297
+variable        y0 equal ${yi}
+variable        y0 equal 0.0335806965827942
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.39596144993078
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y 0.0906584620475769
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1636   -2.9871562   -2.4666251    -2.450463 
+    1637   -2.9871562   -2.4666251   -2.4633049 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 15 x ${x0}
+set atom 15 x 7.46753388483297
+  1 settings made for x
+set atom $i y ${y0}
+set atom 15 y ${y0}
+set atom 15 y 0.0335806965827942
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.89080204048797
+variable        y0 equal ${yi}
+variable        y0 equal 0.962413962591011
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.86287730017349
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 0.951794262636024
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1637   -2.9871562   -2.4666251   -2.4633049 
+    1638   -2.9871562   -2.4666251   -2.4648901 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 14 x ${x0}
+set atom 14 x 6.89080204048797
+  1 settings made for x
+set atom $i y ${y0}
+set atom 14 y ${y0}
+set atom 14 y 0.962413962591011
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 60
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1148146752378
+variable        y0 equal ${yi}
+variable        y0 equal 4.54698911065027
+
+set             atom $i x ${xnew}
+set             atom 60 x ${xnew}
+set             atom 60 x 10.07712940016
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 60 y ${ynew}
+set             atom 60 y 4.48238494748041
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1638   -2.9871562   -2.4666251   -2.4648901 
+    1639   -2.9871562   -2.4666251   -2.4426076 
+Loop time of 4.29153e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 60 x ${x0}
+set atom 60 x 10.1148146752378
+  1 settings made for x
+set atom $i y ${y0}
+set atom 60 y ${y0}
+set atom 60 y 4.54698911065027
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.54351456640837
+variable        y0 equal ${yi}
+variable        y0 equal 3.68936000628603
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.54554458140013
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.70140816731585
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1639   -2.9871562   -2.4666251   -2.4426076 
+    1640   -2.9871562   -2.4666251   -2.4671617 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.46716169941917
+variable naccept equal ${increment}
+variable naccept equal 368
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 86
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.71264111001922
+variable        y0 equal ${yi}
+variable        y0 equal 8.37165092147884
+
+set             atom $i x ${xnew}
+set             atom 86 x ${xnew}
+set             atom 86 x 2.6167845745845
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 86 y ${ynew}
+set             atom 86 y 8.35465121187267
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1640   -2.9871562   -2.4671617   -2.4671617 
+    1641   -2.9871562   -2.4671617   -2.4464315 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 86 x ${x0}
+set atom 86 x 2.71264111001922
+  1 settings made for x
+set atom $i y ${y0}
+set atom 86 y ${y0}
+set atom 86 y 8.37165092147884
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 39
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.50094277142164
+variable        y0 equal ${yi}
+variable        y0 equal 1.79520596644944
+
+set             atom $i x ${xnew}
+set             atom 39 x ${xnew}
+set             atom 39 x 9.55225925921079
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 39 y ${ynew}
+set             atom 39 y 1.71296000859803
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1641   -2.9871562   -2.4671617   -2.4464315 
+    1642   -2.9871562   -2.4671617   -2.4553738 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 39 x ${x0}
+set atom 39 x 9.50094277142164
+  1 settings made for x
+set atom $i y ${y0}
+set atom 39 y ${y0}
+set atom 39 y 1.79520596644944
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.98549635687515
+variable        y0 equal ${yi}
+variable        y0 equal 2.82734158011773
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 6.88636125603363
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.82424732419351
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1642   -2.9871562   -2.4671617   -2.4553738 
+    1643   -2.9871562   -2.4671617   -2.4529937 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 34 x ${x0}
+set atom 34 x 6.98549635687515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 34 y ${y0}
+set atom 34 y 2.82734158011773
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.55546174207155
+variable        y0 equal ${yi}
+variable        y0 equal 5.67337435429292
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.47806070008699
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.58760313933091
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1643   -2.9871562   -2.4671617   -2.4529937 
+    1644   -2.9871562   -2.4671617    -2.428178 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 77 x ${x0}
+set atom 77 x 8.55546174207155
+  1 settings made for x
+set atom $i y ${y0}
+set atom 77 y ${y0}
+set atom 77 y 5.67337435429292
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.89080204048797
+variable        y0 equal ${yi}
+variable        y0 equal 0.962413962591011
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.9791251329486
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 0.934152837503273
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1644   -2.9871562   -2.4671617    -2.428178 
+    1645   -2.9871562   -2.4671617   -2.4467893 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 14 x ${x0}
+set atom 14 x 6.89080204048797
+  1 settings made for x
+set atom $i y ${y0}
+set atom 14 y ${y0}
+set atom 14 y 0.962413962591011
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.23416667381193
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y -0.0174432516098047
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1645   -2.9871562   -2.4671617   -2.4467893 
+    1646   -2.9871562   -2.4671617   -2.4496528 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.07584694067344
+variable        y0 equal ${yi}
+variable        y0 equal 0.00976005792616981
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 2.17492892185554
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y -0.0125086307525716
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1646   -2.9871562   -2.4671617   -2.4496528 
+    1647   -2.9871562   -2.4671617   -2.4657715 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 5 x ${x0}
+set atom 5 x 2.07584694067344
+  1 settings made for x
+set atom $i y ${y0}
+set atom 5 y ${y0}
+set atom 5 y 0.00976005792616981
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 12
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.85675258595935
+variable        y0 equal ${yi}
+variable        y0 equal 0.888840575921863
+
+set             atom $i x ${xnew}
+set             atom 12 x ${xnew}
+set             atom 12 x 5.84254707057468
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 12 y ${ynew}
+set             atom 12 y 0.912364717233509
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1647   -2.9871562   -2.4671617   -2.4657715 
+    1648   -2.9871562   -2.4671617   -2.4714197 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.47141970084112
+variable naccept equal ${increment}
+variable naccept equal 369
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.78193971434718
+variable        y0 equal ${yi}
+variable        y0 equal 8.31736352361736
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.82089993277675
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.31658048547802
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1648   -2.9871562   -2.4714197   -2.4714197 
+    1649   -2.9871562   -2.4714197   -2.4654959 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.78193971434718
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.31736352361736
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 86
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.71264111001922
+variable        y0 equal ${yi}
+variable        y0 equal 8.37165092147884
+
+set             atom $i x ${xnew}
+set             atom 86 x ${xnew}
+set             atom 86 x 2.66236852605773
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 86 y ${ynew}
+set             atom 86 y 8.37839212335643
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1649   -2.9871562   -2.4714197   -2.4654959 
+    1650   -2.9871562   -2.4714197   -2.4676988 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 86 x ${x0}
+set atom 86 x 2.71264111001922
+  1 settings made for x
+set atom $i y ${y0}
+set atom 86 y ${y0}
+set atom 86 y 8.37165092147884
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.08689599949867
+variable        y0 equal ${yi}
+variable        y0 equal 4.81755102032586
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 8.99947237689049
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.91237208002969
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1650   -2.9871562   -2.4714197   -2.4676988 
+    1651   -2.9871562   -2.4714197   -2.3324352 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 58 x ${x0}
+set atom 58 x 9.08689599949867
+  1 settings made for x
+set atom $i y ${y0}
+set atom 58 y ${y0}
+set atom 58 y 4.81755102032586
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 19
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.4949854779112
+variable        y0 equal ${yi}
+variable        y0 equal 0.0935324668884274
+
+set             atom $i x ${xnew}
+set             atom 19 x ${xnew}
+set             atom 19 x 9.46372898100492
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 19 y ${ynew}
+set             atom 19 y 0.174446022510528
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1651   -2.9871562   -2.4714197   -2.3324352 
+    1652   -2.9871562   -2.4714197   -2.4131231 
+Loop time of 9.29832e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 19 x ${x0}
+set atom 19 x 9.4949854779112
+  1 settings made for x
+set atom $i y ${y0}
+set atom 19 y ${y0}
+set atom 19 y 0.0935324668884274
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.33098243871595
+variable        y0 equal ${yi}
+variable        y0 equal 1.91473032615251
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.27070095935728
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 1.96737765452928
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1652   -2.9871562   -2.4714197   -2.4131231 
+    1653   -2.9871562   -2.4714197   -2.4500803 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 31 x ${x0}
+set atom 31 x 5.33098243871595
+  1 settings made for x
+set atom $i y ${y0}
+set atom 31 y ${y0}
+set atom 31 y 1.91473032615251
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1789412740728
+variable        y0 equal ${yi}
+variable        y0 equal 2.78276804658273
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.241893279936
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.78334926339486
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1653   -2.9871562   -2.4714197   -2.4500803 
+    1654   -2.9871562   -2.4714197   -2.4655428 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.1789412740728
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.78276804658273
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.41745940843489
+variable        y0 equal ${yi}
+variable        y0 equal 5.54884942715364
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.41077113548186
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.58289376442628
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1654   -2.9871562   -2.4714197   -2.4655428 
+    1655   -2.9871562   -2.4714197   -2.4683223 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 71 x ${x0}
+set atom 71 x 5.41745940843489
+  1 settings made for x
+set atom $i y ${y0}
+set atom 71 y ${y0}
+set atom 71 y 5.54884942715364
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.64134974360247
+variable        y0 equal ${yi}
+variable        y0 equal 0.972303231466143
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.6009168970563
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 0.937610264528124
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1655   -2.9871562   -2.4714197   -2.4683223 
+    1656   -2.9871562   -2.4714197   -2.4739629 
+Loop time of 3.98159e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.47396293244314
+variable naccept equal ${increment}
+variable naccept equal 370
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 94
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.01762646713897
+variable        y0 equal ${yi}
+variable        y0 equal 8.4145590535551
+
+set             atom $i x ${xnew}
+set             atom 94 x ${xnew}
+set             atom 94 x 6.99553199091598
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 94 y ${ynew}
+set             atom 94 y 8.37164120592174
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1656   -2.9871562   -2.4739629   -2.4739629 
+    1657   -2.9871562   -2.4739629     -2.47647 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.47647000740908
+variable naccept equal ${increment}
+variable naccept equal 371
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 68
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80623258868343
+variable        y0 equal ${yi}
+variable        y0 equal 6.50073292986383
+
+set             atom $i x ${xnew}
+set             atom 68 x ${xnew}
+set             atom 68 x 3.80638530770427
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 68 y ${ynew}
+set             atom 68 y 6.41947159306039
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1657   -2.9871562     -2.47647     -2.47647 
+    1658   -2.9871562     -2.47647   -2.4541469 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 68 x ${x0}
+set atom 68 x 3.80623258868343
+  1 settings made for x
+set atom $i y ${y0}
+set atom 68 y ${y0}
+set atom 68 y 6.50073292986383
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 8
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.72333437720424
+variable        y0 equal ${yi}
+variable        y0 equal 1.06102300475869
+
+set             atom $i x ${xnew}
+set             atom 8 x ${xnew}
+set             atom 8 x 3.7615873269189
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 8 y ${ynew}
+set             atom 8 y 1.14926235269341
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1658   -2.9871562     -2.47647   -2.4541469 
+    1659   -2.9871562     -2.47647   -2.4318808 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 8 x ${x0}
+set atom 8 x 3.72333437720424
+  1 settings made for x
+set atom $i y ${y0}
+set atom 8 y ${y0}
+set atom 8 y 1.06102300475869
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.545649071136379
+variable        y0 equal ${yi}
+variable        y0 equal 2.77431966039041
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.548666758933925
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.70049442025522
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1659   -2.9871562     -2.47647   -2.4318808 
+    1660   -2.9871562     -2.47647    -2.467211 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.545649071136379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.77431966039041
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 9
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.24272296507568
+variable        y0 equal ${yi}
+variable        y0 equal 0.0256201386451842
+
+set             atom $i x ${xnew}
+set             atom 9 x ${xnew}
+set             atom 9 x 4.27172728855819
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 9 y ${ynew}
+set             atom 9 y 0.0813508152961852
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1660   -2.9871562     -2.47647    -2.467211 
+    1661   -2.9871562     -2.47647   -2.4667626 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 9 x ${x0}
+set atom 9 x 4.24272296507568
+  1 settings made for x
+set atom $i y ${y0}
+set atom 9 y ${y0}
+set atom 9 y 0.0256201386451842
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.05432130693294
+variable        y0 equal ${yi}
+variable        y0 equal 8.31604041971262
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.11692139505245
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.31449487127359
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1661   -2.9871562     -2.47647   -2.4667626 
+    1662   -2.9871562     -2.47647   -2.4616534 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.05432130693294
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.31604041971262
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 81
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0322040319442937
+variable        y0 equal ${yi}
+variable        y0 equal 7.38692112293505
+
+set             atom $i x ${xnew}
+set             atom 81 x ${xnew}
+set             atom 81 x 0.109834313392658
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 81 y ${ynew}
+set             atom 81 y 7.30399232235216
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1662   -2.9871562     -2.47647   -2.4616534 
+    1663   -2.9871562     -2.47647   -2.4471618 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 81 x ${x0}
+set atom 81 x 0.0322040319442937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 81 y ${y0}
+set atom 81 y 7.38692112293505
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 38
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.09958864171057
+variable        y0 equal ${yi}
+variable        y0 equal 2.75573046180108
+
+set             atom $i x ${xnew}
+set             atom 38 x ${xnew}
+set             atom 38 x 9.00038189608603
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 38 y ${ynew}
+set             atom 38 y 2.77142339917519
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1663   -2.9871562     -2.47647   -2.4471618 
+    1664   -2.9871562     -2.47647   -2.4588344 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 38 x ${x0}
+set atom 38 x 9.09958864171057
+  1 settings made for x
+set atom $i y ${y0}
+set atom 38 y ${y0}
+set atom 38 y 2.75573046180108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 17
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.44088740506594
+variable        y0 equal ${yi}
+variable        y0 equal 9.25733234393924
+
+set             atom $i x ${xnew}
+set             atom 17 x ${xnew}
+set             atom 17 x 8.37250555911486
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 17 y ${ynew}
+set             atom 17 y 9.34413278806537
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1664   -2.9871562     -2.47647   -2.4588344 
+    1665   -2.9871562     -2.47647    -2.421037 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 17 x ${x0}
+set atom 17 x 8.44088740506594
+  1 settings made for x
+set atom $i y ${y0}
+set atom 17 y ${y0}
+set atom 17 y 9.25733234393924
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 84
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.63794375538607
+variable        y0 equal ${yi}
+variable        y0 equal 8.371298693791
+
+set             atom $i x ${xnew}
+set             atom 84 x ${xnew}
+set             atom 84 x 1.55320945858736
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 84 y ${ynew}
+set             atom 84 y 8.29087889112529
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1665   -2.9871562     -2.47647    -2.421037 
+    1666   -2.9871562     -2.47647   -2.4528968 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 84 x ${x0}
+set atom 84 x 1.63794375538607
+  1 settings made for x
+set atom $i y ${y0}
+set atom 84 y ${y0}
+set atom 84 y 8.371298693791
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.68984863638659
+variable        y0 equal ${yi}
+variable        y0 equal 6.46641751066677
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.63580374598284
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.44763776794903
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1666   -2.9871562     -2.47647   -2.4528968 
+    1667   -2.9871562     -2.47647   -2.4670904 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.68984863638659
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.46641751066677
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 87
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.20964491128483
+variable        y0 equal ${yi}
+variable        y0 equal 7.4096286090877
+
+set             atom $i x ${xnew}
+set             atom 87 x ${xnew}
+set             atom 87 x 3.14378951549092
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 87 y ${ynew}
+set             atom 87 y 7.47022236910128
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1667   -2.9871562     -2.47647   -2.4670904 
+    1668   -2.9871562     -2.47647   -2.4577131 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 87 x ${x0}
+set atom 87 x 3.20964491128483
+  1 settings made for x
+set atom $i y ${y0}
+set atom 87 y ${y0}
+set atom 87 y 7.4096286090877
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.55546174207155
+variable        y0 equal ${yi}
+variable        y0 equal 5.67337435429292
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.5014714018387
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.59029105847078
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1668   -2.9871562     -2.47647   -2.4577131 
+    1669   -2.9871562     -2.47647   -2.4509308 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 77 x ${x0}
+set atom 77 x 8.55546174207155
+  1 settings made for x
+set atom $i y ${y0}
+set atom 77 y ${y0}
+set atom 77 y 5.67337435429292
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.54554458140013
+variable        y0 equal ${yi}
+variable        y0 equal 3.70140816731585
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.44731051205275
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.607225735618
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1669   -2.9871562     -2.47647   -2.4509308 
+    1670   -2.9871562     -2.47647    -2.368799 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 59 x ${x0}
+set atom 59 x 9.54554458140013
+  1 settings made for x
+set atom $i y ${y0}
+set atom 59 y ${y0}
+set atom 59 y 3.70140816731585
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.55546174207155
+variable        y0 equal ${yi}
+variable        y0 equal 5.67337435429292
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.48661756673281
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.73395479862886
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1670   -2.9871562     -2.47647    -2.368799 
+    1671   -2.9871562     -2.47647   -2.4071873 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 77 x ${x0}
+set atom 77 x 8.55546174207155
+  1 settings made for x
+set atom $i y ${y0}
+set atom 77 y ${y0}
+set atom 77 y 5.67337435429292
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 37
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.49348578610842
+variable        y0 equal ${yi}
+variable        y0 equal 1.80821938893861
+
+set             atom $i x ${xnew}
+set             atom 37 x ${xnew}
+set             atom 37 x 8.45325187602465
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 37 y ${ynew}
+set             atom 37 y 1.81180926940507
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1671   -2.9871562     -2.47647   -2.4071873 
+    1672   -2.9871562     -2.47647   -2.4801572 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.48015720214087
+variable naccept equal ${increment}
+variable naccept equal 372
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 19
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.4949854779112
+variable        y0 equal ${yi}
+variable        y0 equal 0.0935324668884274
+
+set             atom $i x ${xnew}
+set             atom 19 x ${xnew}
+set             atom 19 x 9.40067303656217
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 19 y ${ynew}
+set             atom 19 y 0.147239625453949
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1672   -2.9871562   -2.4801572   -2.4801572 
+    1673   -2.9871562   -2.4801572   -2.4008324 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 19 x ${x0}
+set atom 19 x 9.4949854779112
+  1 settings made for x
+set atom $i y ${y0}
+set atom 19 y ${y0}
+set atom 19 y 0.0935324668884274
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 36
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.01815503238536
+variable        y0 equal ${yi}
+variable        y0 equal 2.72729808064798
+
+set             atom $i x ${xnew}
+set             atom 36 x ${xnew}
+set             atom 36 x 8.03411150573588
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 36 y ${ynew}
+set             atom 36 y 2.82439221116403
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1673   -2.9871562   -2.4801572   -2.4008324 
+    1674   -2.9871562   -2.4801572   -2.4671513 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 36 x ${x0}
+set atom 36 x 8.01815503238536
+  1 settings made for x
+set atom $i y ${y0}
+set atom 36 y ${y0}
+set atom 36 y 2.72729808064798
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 100
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.131702781107
+variable        y0 equal ${yi}
+variable        y0 equal 8.31063791431484
+
+set             atom $i x ${xnew}
+set             atom 100 x ${xnew}
+set             atom 100 x 10.1418738488217
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 100 y ${ynew}
+set             atom 100 y 8.22159374870357
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1674   -2.9871562   -2.4801572   -2.4671513 
+    1675   -2.9871562   -2.4801572     -2.45394 
+Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 100 x ${x0}
+set atom 100 x 10.131702781107
+  1 settings made for x
+set atom $i y ${y0}
+set atom 100 y ${y0}
+set atom 100 y 8.31063791431484
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 24
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.63001570582171
+variable        y0 equal ${yi}
+variable        y0 equal 2.83223057957987
+
+set             atom $i x ${xnew}
+set             atom 24 x ${xnew}
+set             atom 24 x 1.55264944910784
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 24 y ${ynew}
+set             atom 24 y 2.74963378878931
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1675   -2.9871562   -2.4801572     -2.45394 
+    1676   -2.9871562   -2.4801572    -2.471715 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 24 x ${x0}
+set atom 24 x 1.63001570582171
+  1 settings made for x
+set atom $i y ${y0}
+set atom 24 y ${y0}
+set atom 24 y 2.83223057957987
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 27
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.18523547410527
+variable        y0 equal ${yi}
+variable        y0 equal 1.96640520474976
+
+set             atom $i x ${xnew}
+set             atom 27 x ${xnew}
+set             atom 27 x 3.18107619046727
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 27 y ${ynew}
+set             atom 27 y 2.05504829070633
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1676   -2.9871562   -2.4801572    -2.471715 
+    1677   -2.9871562   -2.4801572   -2.4578969 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 27 x ${x0}
+set atom 27 x 3.18523547410527
+  1 settings made for x
+set atom $i y ${y0}
+set atom 27 y ${y0}
+set atom 27 y 1.96640520474976
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 94
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.99553199091598
+variable        y0 equal ${yi}
+variable        y0 equal 8.37164120592174
+
+set             atom $i x ${xnew}
+set             atom 94 x ${xnew}
+set             atom 94 x 6.96789559403106
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 94 y ${ynew}
+set             atom 94 y 8.43197524465618
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1677   -2.9871562   -2.4801572   -2.4578969 
+    1678   -2.9871562   -2.4801572     -2.47917 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 94 x ${x0}
+set atom 94 x 6.99553199091598
+  1 settings made for x
+set atom $i y ${y0}
+set atom 94 y ${y0}
+set atom 94 y 8.37164120592174
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.30100279251004
+variable        y0 equal ${yi}
+variable        y0 equal 7.47468527879977
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.35422850051785
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.41203050937915
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1678   -2.9871562   -2.4801572     -2.47917 
+    1679   -2.9871562   -2.4801572   -2.4944438 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.49444375028856
+variable naccept equal ${increment}
+variable naccept equal 373
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 74
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.09398345032379
+variable        y0 equal ${yi}
+variable        y0 equal 6.52802731529703
+
+set             atom $i x ${xnew}
+set             atom 74 x ${xnew}
+set             atom 74 x 7.04742242375061
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 74 y ${ynew}
+set             atom 74 y 6.46128811375131
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1679   -2.9871562   -2.4944438   -2.4944438 
+    1680   -2.9871562   -2.4944438   -2.4951883 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.49518834111784
+variable naccept equal ${increment}
+variable naccept equal 374
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.54554458140013
+variable        y0 equal ${yi}
+variable        y0 equal 3.70140816731585
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.58570396183607
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.74172507090701
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1680   -2.9871562   -2.4951883   -2.4951883 
+    1681   -2.9871562   -2.4951883   -2.4893537 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 59 x ${x0}
+set atom 59 x 9.54554458140013
+  1 settings made for x
+set atom $i y ${y0}
+set atom 59 y ${y0}
+set atom 59 y 3.70140816731585
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1789412740728
+variable        y0 equal ${yi}
+variable        y0 equal 2.78276804658273
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.2237404827139
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.87990647527078
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1681   -2.9871562   -2.4951883   -2.4893537 
+    1682   -2.9871562   -2.4951883    -2.479309 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.1789412740728
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.78276804658273
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.570630665222075
+variable        y0 equal ${yi}
+variable        y0 equal 0.909747691858138
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.650206466117766
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.871615107763137
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1682   -2.9871562   -2.4951883    -2.479309 
+    1683   -2.9871562   -2.4951883   -2.4679691 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.570630665222075
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 0.909747691858138
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.81670362273342
+variable        y0 equal ${yi}
+variable        y0 equal 2.85977786752084
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.88550445357448
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.86145157786706
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1683   -2.9871562   -2.4951883   -2.4679691 
+    1684   -2.9871562   -2.4951883   -2.4783619 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.81670362273342
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.85977786752084
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 68
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80623258868343
+variable        y0 equal ${yi}
+variable        y0 equal 6.50073292986383
+
+set             atom $i x ${xnew}
+set             atom 68 x ${xnew}
+set             atom 68 x 3.79833728591091
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 68 y ${ynew}
+set             atom 68 y 6.45531866089334
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1684   -2.9871562   -2.4951883   -2.4783619 
+    1685   -2.9871562   -2.4951883   -2.4870612 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 68 x ${x0}
+set atom 68 x 3.80623258868343
+  1 settings made for x
+set atom $i y ${y0}
+set atom 68 y ${y0}
+set atom 68 y 6.50073292986383
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6111590226346
+variable        y0 equal ${yi}
+variable        y0 equal 9.22944378364413
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x 10.6229970176869
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 9.18818654525607
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1685   -2.9871562   -2.4951883   -2.4870612 
+    1686   -2.9871562   -2.4951883   -2.4878366 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 1 x ${x0}
+set atom 1 x 10.6111590226346
+  1 settings made for x
+set atom $i y ${y0}
+set atom 1 y ${y0}
+set atom 1 y 9.22944378364413
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.11815181096249
+variable        y0 equal ${yi}
+variable        y0 equal 7.44427507248187
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.15688115676098
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.3488747271564
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1686   -2.9871562   -2.4951883   -2.4878366 
+    1687   -2.9871562   -2.4951883   -2.4767074 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.11815181096249
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.44427507248187
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 10
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.77766234516441
+variable        y0 equal ${yi}
+variable        y0 equal 0.927607925641864
+
+set             atom $i x ${xnew}
+set             atom 10 x ${xnew}
+set             atom 10 x 4.71939723133384
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 10 y ${ynew}
+set             atom 10 y 0.890196736562579
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1687   -2.9871562   -2.4951883   -2.4767074 
+    1688   -2.9871562   -2.4951883      -2.4786 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 10 x ${x0}
+set atom 10 x 4.77766234516441
+  1 settings made for x
+set atom $i y ${y0}
+set atom 10 y ${y0}
+set atom 10 y 0.927607925641864
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 9
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.24272296507568
+variable        y0 equal ${yi}
+variable        y0 equal 0.0256201386451842
+
+set             atom $i x ${xnew}
+set             atom 9 x ${xnew}
+set             atom 9 x 4.29355685789795
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 9 y ${ynew}
+set             atom 9 y 0.0588366866111876
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1688   -2.9871562   -2.4951883      -2.4786 
+    1689   -2.9871562   -2.4951883   -2.4863956 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 9 x ${x0}
+set atom 9 x 4.24272296507568
+  1 settings made for x
+set atom $i y ${y0}
+set atom 9 y ${y0}
+set atom 9 y 0.0256201386451842
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.39495646158125
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y 0.0706821441650366
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1689   -2.9871562   -2.4951883   -2.4863956 
+    1690   -2.9871562   -2.4951883   -2.4654216 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 97
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.64328949609225
+variable        y0 equal ${yi}
+variable        y0 equal 7.40728055563236
+
+set             atom $i x ${xnew}
+set             atom 97 x ${xnew}
+set             atom 97 x 8.55128679433291
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 97 y ${ynew}
+set             atom 97 y 7.43494105663563
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1690   -2.9871562   -2.4951883   -2.4654216 
+    1691   -2.9871562   -2.4951883   -2.4864511 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 97 x ${x0}
+set atom 97 x 8.64328949609225
+  1 settings made for x
+set atom $i y ${y0}
+set atom 97 y ${y0}
+set atom 97 y 7.40728055563236
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.11815181096249
+variable        y0 equal ${yi}
+variable        y0 equal 7.44427507248187
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.16958295424633
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.50933714237475
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1691   -2.9871562   -2.4951883   -2.4864511 
+    1692   -2.9871562   -2.4951883   -2.4732912 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.11815181096249
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.44427507248187
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.55546174207155
+variable        y0 equal ${yi}
+variable        y0 equal 5.67337435429292
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.48119956412737
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.65949252789216
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1692   -2.9871562   -2.4951883   -2.4732912 
+    1693   -2.9871562   -2.4951883   -2.4663966 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 77 x ${x0}
+set atom 77 x 8.55546174207155
+  1 settings made for x
+set atom $i y ${y0}
+set atom 77 y ${y0}
+set atom 77 y 5.67337435429292
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.98549635687515
+variable        y0 equal ${yi}
+variable        y0 equal 2.82734158011773
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 7.02145066538498
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.81503593894341
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1693   -2.9871562   -2.4951883   -2.4663966 
+    1694   -2.9871562   -2.4951883    -2.487476 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 34 x ${x0}
+set atom 34 x 6.98549635687515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 34 y ${y0}
+set atom 34 y 2.82734158011773
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.73327985008192
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.59383653754159
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1694   -2.9871562   -2.4951883    -2.487476 
+    1695   -2.9871562   -2.4951883   -2.4784214 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 100
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.131702781107
+variable        y0 equal ${yi}
+variable        y0 equal 8.31063791431484
+
+set             atom $i x ${xnew}
+set             atom 100 x ${xnew}
+set             atom 100 x 10.0656125787755
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 100 y ${ynew}
+set             atom 100 y 8.24207219995556
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1695   -2.9871562   -2.4951883   -2.4784214 
+    1696   -2.9871562   -2.4951883   -2.4504695 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 100 x ${x0}
+set atom 100 x 10.131702781107
+  1 settings made for x
+set atom $i y ${y0}
+set atom 100 y ${y0}
+set atom 100 y 8.31063791431484
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 79
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.66362923859236
+variable        y0 equal ${yi}
+variable        y0 equal 5.65359488671022
+
+set             atom $i x ${xnew}
+set             atom 79 x ${xnew}
+set             atom 79 x 9.59307392119047
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 79 y ${ynew}
+set             atom 79 y 5.58392617647844
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1696   -2.9871562   -2.4951883   -2.4504695 
+    1697   -2.9871562   -2.4951883   -2.4522836 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 79 x ${x0}
+set atom 79 x 9.66362923859236
+  1 settings made for x
+set atom $i y ${y0}
+set atom 79 y ${y0}
+set atom 79 y 5.65359488671022
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.23979663292276
+variable        y0 equal ${yi}
+variable        y0 equal 5.5713402385016
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.2245931927334
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.61430882160859
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1697   -2.9871562   -2.4951883   -2.4522836 
+    1698   -2.9871562   -2.4951883    -2.491508 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 65 x ${x0}
+set atom 65 x 2.23979663292276
+  1 settings made for x
+set atom $i y ${y0}
+set atom 65 y ${y0}
+set atom 65 y 5.5713402385016
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.68984863638659
+variable        y0 equal ${yi}
+variable        y0 equal 6.46641751066677
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.7109760272481
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.49060356155865
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1698   -2.9871562   -2.4951883    -2.491508 
+    1699   -2.9871562   -2.4951883   -2.4946728 
+Loop time of 4.60148e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.68984863638659
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.46641751066677
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.51557409285624
+variable        y0 equal ${yi}
+variable        y0 equal 3.75448479218613
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.54187380789835
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.69490446610581
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1699   -2.9871562   -2.4951883   -2.4946728 
+    1700   -2.9871562   -2.4951883   -2.4883114 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 53 x ${x0}
+set atom 53 x 6.51557409285624
+  1 settings made for x
+set atom $i y ${y0}
+set atom 53 y ${y0}
+set atom 53 y 3.75448479218613
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.7265060384922
+variable        y0 equal ${yi}
+variable        y0 equal 1.84549867293901
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x 10.738069279974
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 1.92660813710756
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1700   -2.9871562   -2.4951883   -2.4883114 
+    1701   -2.9871562   -2.4951883   -2.4841252 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 21 x ${x0}
+set atom 21 x 10.7265060384922
+  1 settings made for x
+set atom $i y ${y0}
+set atom 21 y ${y0}
+set atom 21 y 1.84549867293901
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 60
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1148146752378
+variable        y0 equal ${yi}
+variable        y0 equal 4.54698911065027
+
+set             atom $i x ${xnew}
+set             atom 60 x ${xnew}
+set             atom 60 x 10.146871400263
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 60 y ${ynew}
+set             atom 60 y 4.57325408810541
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1701   -2.9871562   -2.4951883   -2.4841252 
+    1702   -2.9871562   -2.4951883   -2.4978344 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.49783441463249
+variable naccept equal ${increment}
+variable naccept equal 375
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.24420675992527
+variable        y0 equal ${yi}
+variable        y0 equal 3.73567457957399
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.28501934766331
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.68072371049059
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1702   -2.9871562   -2.4978344   -2.4978344 
+    1703   -2.9871562   -2.4978344   -2.4860441 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 47 x ${x0}
+set atom 47 x 3.24420675992527
+  1 settings made for x
+set atom $i y ${y0}
+set atom 47 y ${y0}
+set atom 47 y 3.73567457957399
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 63
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.04039912541561
+variable        y0 equal ${yi}
+variable        y0 equal 5.56148483698564
+
+set             atom $i x ${xnew}
+set             atom 63 x ${xnew}
+set             atom 63 x 1.1005728276556
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 63 y ${ynew}
+set             atom 63 y 5.64032372181611
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1703   -2.9871562   -2.4978344   -2.4860441 
+    1704   -2.9871562   -2.4978344   -2.4779233 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 63 x ${x0}
+set atom 63 x 1.04039912541561
+  1 settings made for x
+set atom $i y ${y0}
+set atom 63 y ${y0}
+set atom 63 y 5.56148483698564
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 73
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.44717097996789
+variable        y0 equal ${yi}
+variable        y0 equal 5.51531081145007
+
+set             atom $i x ${xnew}
+set             atom 73 x ${xnew}
+set             atom 73 x 6.43005772351342
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 73 y ${ynew}
+set             atom 73 y 5.48158835118014
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1704   -2.9871562   -2.4978344   -2.4779233 
+    1705   -2.9871562   -2.4978344   -2.4828354 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 73 x ${x0}
+set atom 73 x 6.44717097996789
+  1 settings made for x
+set atom $i y ${y0}
+set atom 73 y ${y0}
+set atom 73 y 5.51531081145007
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 100
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.131702781107
+variable        y0 equal ${yi}
+variable        y0 equal 8.31063791431484
+
+set             atom $i x ${xnew}
+set             atom 100 x ${xnew}
+set             atom 100 x 10.0923128608723
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 100 y ${ynew}
+set             atom 100 y 8.23189141668377
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1705   -2.9871562   -2.4978344   -2.4828354 
+    1706   -2.9871562   -2.4978344   -2.4607988 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 100 x ${x0}
+set atom 100 x 10.131702781107
+  1 settings made for x
+set atom $i y ${y0}
+set atom 100 y ${y0}
+set atom 100 y 8.31063791431484
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.01011228838607
+variable        y0 equal ${yi}
+variable        y0 equal 4.6700352584736
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 7.09560692587539
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.68280859345361
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1706   -2.9871562   -2.4978344   -2.4607988 
+    1707   -2.9871562   -2.4978344   -2.4964112 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.01011228838607
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.6700352584736
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 79
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.66362923859236
+variable        y0 equal ${yi}
+variable        y0 equal 5.65359488671022
+
+set             atom $i x ${xnew}
+set             atom 79 x ${xnew}
+set             atom 79 x 9.73428105591414
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 79 y ${ynew}
+set             atom 79 y 5.70619242136674
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1707   -2.9871562   -2.4978344   -2.4964112 
+    1708   -2.9871562   -2.4978344   -2.4791472 
+Loop time of 8.39233e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 79 x ${x0}
+set atom 79 x 9.66362923859236
+  1 settings made for x
+set atom $i y ${y0}
+set atom 79 y ${y0}
+set atom 79 y 5.65359488671022
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 23
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.07343188841992
+variable        y0 equal ${yi}
+variable        y0 equal 1.85961672446793
+
+set             atom $i x ${xnew}
+set             atom 23 x ${xnew}
+set             atom 23 x 1.15914738495999
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 23 y ${ynew}
+set             atom 23 y 1.81917400739258
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1708   -2.9871562   -2.4978344   -2.4791472 
+    1709   -2.9871562   -2.4978344   -2.4802019 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 23 x ${x0}
+set atom 23 x 1.07343188841992
+  1 settings made for x
+set atom $i y ${y0}
+set atom 23 y ${y0}
+set atom 23 y 1.85961672446793
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 12
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.84254707057468
+variable        y0 equal ${yi}
+variable        y0 equal 0.912364717233509
+
+set             atom $i x ${xnew}
+set             atom 12 x ${xnew}
+set             atom 12 x 5.87132241685382
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 12 y ${ynew}
+set             atom 12 y 0.825371380555958
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1709   -2.9871562   -2.4978344   -2.4802019 
+    1710   -2.9871562   -2.4978344   -2.4697481 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 12 x ${x0}
+set atom 12 x 5.84254707057468
+  1 settings made for x
+set atom $i y ${y0}
+set atom 12 y ${y0}
+set atom 12 y 0.912364717233509
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 24
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.63001570582171
+variable        y0 equal ${yi}
+variable        y0 equal 2.83223057957987
+
+set             atom $i x ${xnew}
+set             atom 24 x ${xnew}
+set             atom 24 x 1.63323100685854
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 24 y ${ynew}
+set             atom 24 y 2.85240044566492
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1710   -2.9871562   -2.4978344   -2.4697481 
+    1711   -2.9871562   -2.4978344   -2.4944899 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 24 x ${x0}
+set atom 24 x 1.63001570582171
+  1 settings made for x
+set atom $i y ${y0}
+set atom 24 y ${y0}
+set atom 24 y 2.83223057957987
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 94
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.99553199091598
+variable        y0 equal ${yi}
+variable        y0 equal 8.37164120592174
+
+set             atom $i x ${xnew}
+set             atom 94 x ${xnew}
+set             atom 94 x 7.0241800693576
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 94 y ${ynew}
+set             atom 94 y 8.39118226684627
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1711   -2.9871562   -2.4978344   -2.4944899 
+    1712   -2.9871562   -2.4978344   -2.4952603 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 94 x ${x0}
+set atom 94 x 6.99553199091598
+  1 settings made for x
+set atom $i y ${y0}
+set atom 94 y ${y0}
+set atom 94 y 8.37164120592174
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 81
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0322040319442937
+variable        y0 equal ${yi}
+variable        y0 equal 7.38692112293505
+
+set             atom $i x ${xnew}
+set             atom 81 x ${xnew}
+set             atom 81 x -0.0669728040695003
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 81 y ${ynew}
+set             atom 81 y 7.44679752912783
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1712   -2.9871562   -2.4978344   -2.4952603 
+    1713   -2.9871562   -2.4978344   -2.4749258 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 81 x ${x0}
+set atom 81 x 0.0322040319442937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 81 y ${y0}
+set atom 81 y 7.38692112293505
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 17
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.44088740506594
+variable        y0 equal ${yi}
+variable        y0 equal 9.25733234393924
+
+set             atom $i x ${xnew}
+set             atom 17 x ${xnew}
+set             atom 17 x 8.37793935695116
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 17 y ${ynew}
+set             atom 17 y 9.30804768312305
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1713   -2.9871562   -2.4978344   -2.4749258 
+    1714   -2.9871562   -2.4978344   -2.4536803 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 17 x ${x0}
+set atom 17 x 8.44088740506594
+  1 settings made for x
+set atom $i y ${y0}
+set atom 17 y ${y0}
+set atom 17 y 9.25733234393924
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.08689599949867
+variable        y0 equal ${yi}
+variable        y0 equal 4.81755102032586
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 9.15777814108879
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.88041102045937
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1714   -2.9871562   -2.4978344   -2.4536803 
+    1715   -2.9871562   -2.4978344   -2.4575964 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 58 x ${x0}
+set atom 58 x 9.08689599949867
+  1 settings made for x
+set atom $i y ${y0}
+set atom 58 y ${y0}
+set atom 58 y 4.81755102032586
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 41
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0739950656890791
+variable        y0 equal ${yi}
+variable        y0 equal 3.67012049718035
+
+set             atom $i x ${xnew}
+set             atom 41 x ${xnew}
+set             atom 41 x 0.0431623816490095
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 41 y ${ynew}
+set             atom 41 y 3.68648581071032
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1715   -2.9871562   -2.4978344   -2.4575964 
+    1716   -2.9871562   -2.4978344   -2.5025606 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.50256055701607
+variable naccept equal ${increment}
+variable naccept equal 376
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.69106418092681
+variable        y0 equal ${yi}
+variable        y0 equal 0.920749815214004
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.72476402719451
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 0.906897528875198
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1716   -2.9871562   -2.5025606   -2.5025606 
+    1717   -2.9871562   -2.5025606   -2.4953997 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 6 x ${x0}
+set atom 6 x 2.69106418092681
+  1 settings made for x
+set atom $i y ${y0}
+set atom 6 y ${y0}
+set atom 6 y 0.920749815214004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.96878697831622
+variable        y0 equal ${yi}
+variable        y0 equal 6.53832680717936
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 5.98550258834353
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.47227353588572
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1717   -2.9871562   -2.5025606   -2.4953997 
+    1718   -2.9871562   -2.5025606   -2.5033651 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.50336514283327
+variable naccept equal ${increment}
+variable naccept equal 377
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.05432130693294
+variable        y0 equal ${yi}
+variable        y0 equal 8.31604041971262
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.01956139205791
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.33509240068491
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1718   -2.9871562   -2.5033651   -2.5033651 
+    1719   -2.9871562   -2.5033651   -2.5022008 
+Loop time of 8.60691e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.05432130693294
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.31604041971262
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 3
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.984874358970454
+variable        y0 equal ${yi}
+variable        y0 equal 9.19249844062656
+
+set             atom $i x ${xnew}
+set             atom 3 x ${xnew}
+set             atom 3 x 0.965262642700007
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 3 y ${ynew}
+set             atom 3 y 9.22464752900928
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1719   -2.9871562   -2.5033651   -2.5022008 
+    1720   -2.9871562   -2.5033651   -2.5069915 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.50699147459164
+variable naccept equal ${increment}
+variable naccept equal 378
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 73
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.44717097996789
+variable        y0 equal ${yi}
+variable        y0 equal 5.51531081145007
+
+set             atom $i x ${xnew}
+set             atom 73 x ${xnew}
+set             atom 73 x 6.39928246258813
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 73 y ${ynew}
+set             atom 73 y 5.60194510166842
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1720   -2.9871562   -2.5069915   -2.5069915 
+    1721   -2.9871562   -2.5069915   -2.4868277 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 73 x ${x0}
+set atom 73 x 6.44717097996789
+  1 settings made for x
+set atom $i y ${y0}
+set atom 73 y ${y0}
+set atom 73 y 5.51531081145007
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 30
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.8951647126609
+variable        y0 equal ${yi}
+variable        y0 equal 2.85868977280953
+
+set             atom $i x ${xnew}
+set             atom 30 x ${xnew}
+set             atom 30 x 4.89668607353508
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 30 y ${ynew}
+set             atom 30 y 2.86551007005074
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1721   -2.9871562   -2.5069915   -2.4868277 
+    1722   -2.9871562   -2.5069915   -2.5060709 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 30 x ${x0}
+set atom 30 x 4.8951647126609
+  1 settings made for x
+set atom $i y ${y0}
+set atom 30 y ${y0}
+set atom 30 y 2.85868977280953
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.26957070906373
+variable        y0 equal ${yi}
+variable        y0 equal 1.93462480685777
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.17336812098237
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.9709445872075
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1722   -2.9871562   -2.5069915   -2.5060709 
+    1723   -2.9871562   -2.5069915   -2.4713897 
+Loop time of 3.98159e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.26957070906373
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.93462480685777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.56329734165441
+variable        y0 equal ${yi}
+variable        y0 equal 3.72885418696535
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.49549213487875
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.75434667630327
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1723   -2.9871562   -2.5069915   -2.4713897 
+    1724   -2.9871562   -2.5069915   -2.5024893 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 55 x ${x0}
+set atom 55 x 7.56329734165441
+  1 settings made for x
+set atom $i y ${y0}
+set atom 55 y ${y0}
+set atom 55 y 3.72885418696535
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.2292649034519
+variable        y0 equal ${yi}
+variable        y0 equal 0.913150580633014
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.20556546488
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 0.955296619642108
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1724   -2.9871562   -2.5069915   -2.5024893 
+    1725   -2.9871562   -2.5069915   -2.5070767 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.50707673760221
+variable naccept equal ${increment}
+variable naccept equal 379
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 27
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.18523547410527
+variable        y0 equal ${yi}
+variable        y0 equal 1.96640520474976
+
+set             atom $i x ${xnew}
+set             atom 27 x ${xnew}
+set             atom 27 x 3.21123574733296
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 27 y ${ynew}
+set             atom 27 y 2.02760801694458
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1725   -2.9871562   -2.5070767   -2.5070767 
+    1726   -2.9871562   -2.5070767   -2.4999908 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 27 x ${x0}
+set atom 27 x 3.18523547410527
+  1 settings made for x
+set atom $i y ${y0}
+set atom 27 y ${y0}
+set atom 27 y 1.96640520474976
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.89080204048797
+variable        y0 equal ${yi}
+variable        y0 equal 0.962413962591011
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.94979257860824
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 0.918976565111
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1726   -2.9871562   -2.5070767   -2.4999908 
+    1727   -2.9871562   -2.5070767   -2.4975829 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 14 x ${x0}
+set atom 14 x 6.89080204048797
+  1 settings made for x
+set atom $i y ${y0}
+set atom 14 y ${y0}
+set atom 14 y 0.962413962591011
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 8
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.72333437720424
+variable        y0 equal ${yi}
+variable        y0 equal 1.06102300475869
+
+set             atom $i x ${xnew}
+set             atom 8 x ${xnew}
+set             atom 8 x 3.6418524078477
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 8 y ${ynew}
+set             atom 8 y 1.14254684041772
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1727   -2.9871562   -2.5070767   -2.4975829 
+    1728   -2.9871562   -2.5070767   -2.4560799 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 8 x ${x0}
+set atom 8 x 3.72333437720424
+  1 settings made for x
+set atom $i y ${y0}
+set atom 8 y ${y0}
+set atom 8 y 1.06102300475869
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 67
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.31808795690099
+variable        y0 equal ${yi}
+variable        y0 equal 5.6091846699019
+
+set             atom $i x ${xnew}
+set             atom 67 x ${xnew}
+set             atom 67 x 3.22073697804967
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 67 y ${ynew}
+set             atom 67 y 5.624910497119
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1728   -2.9871562   -2.5070767   -2.4560799 
+    1729   -2.9871562   -2.5070767   -2.4900357 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 67 x ${x0}
+set atom 67 x 3.31808795690099
+  1 settings made for x
+set atom $i y ${y0}
+set atom 67 y ${y0}
+set atom 67 y 5.6091846699019
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.545649071136379
+variable        y0 equal ${yi}
+variable        y0 equal 2.77431966039041
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.586355228820705
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.76345570060113
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1729   -2.9871562   -2.5070767   -2.4900357 
+    1730   -2.9871562   -2.5070767    -2.504178 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.545649071136379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.77431966039041
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.16921079794274
+variable        y0 equal ${yi}
+variable        y0 equal 1.86157575032777
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.25063434282647
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.79518518827027
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1730   -2.9871562   -2.5070767    -2.504178 
+    1731   -2.9871562   -2.5070767   -2.4664951 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.16921079794274
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.86157575032777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 50
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.95269535421668
+variable        y0 equal ${yi}
+variable        y0 equal 4.50253551358148
+
+set             atom $i x ${xnew}
+set             atom 50 x ${xnew}
+set             atom 50 x 4.87296666740714
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 50 y ${ynew}
+set             atom 50 y 4.47512785548135
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1731   -2.9871562   -2.5070767   -2.4664951 
+    1732   -2.9871562   -2.5070767   -2.4621364 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 50 x ${x0}
+set atom 50 x 4.95269535421668
+  1 settings made for x
+set atom $i y ${y0}
+set atom 50 y ${y0}
+set atom 50 y 4.50253551358148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.20556546488
+variable        y0 equal ${yi}
+variable        y0 equal 0.955296619642108
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.2914436940212
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 0.94780113290581
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1732   -2.9871562   -2.5070767   -2.4621364 
+    1733   -2.9871562   -2.5070767   -2.4925868 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 20 x ${x0}
+set atom 20 x 10.20556546488
+  1 settings made for x
+set atom $i y ${y0}
+set atom 20 y ${y0}
+set atom 20 y 0.955296619642108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.29556680996629
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.61288714354236
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1733   -2.9871562   -2.5070767   -2.4925868 
+    1734   -2.9871562   -2.5070767   -2.4840706 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 95
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.50331240732442
+variable        y0 equal ${yi}
+variable        y0 equal 7.44483136263156
+
+set             atom $i x ${xnew}
+set             atom 95 x ${xnew}
+set             atom 95 x 7.59896482069265
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 95 y ${ynew}
+set             atom 95 y 7.40544650879169
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1734   -2.9871562   -2.5070767   -2.4840706 
+    1735   -2.9871562   -2.5070767   -2.4956993 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 95 x ${x0}
+set atom 95 x 7.50331240732442
+  1 settings made for x
+set atom $i y ${y0}
+set atom 95 y ${y0}
+set atom 95 y 7.44483136263156
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 36
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.01815503238536
+variable        y0 equal ${yi}
+variable        y0 equal 2.72729808064798
+
+set             atom $i x ${xnew}
+set             atom 36 x ${xnew}
+set             atom 36 x 8.11439363359309
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 36 y ${ynew}
+set             atom 36 y 2.76781226369241
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1735   -2.9871562   -2.5070767   -2.4956993 
+    1736   -2.9871562   -2.5070767   -2.4867735 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 36 x ${x0}
+set atom 36 x 8.01815503238536
+  1 settings made for x
+set atom $i y ${y0}
+set atom 36 y ${y0}
+set atom 36 y 2.72729808064798
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 26
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.65343800981474
+variable        y0 equal ${yi}
+variable        y0 equal 2.85940663787225
+
+set             atom $i x ${xnew}
+set             atom 26 x ${xnew}
+set             atom 26 x 2.7366381545825
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 26 y ${ynew}
+set             atom 26 y 2.9062090751777
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1736   -2.9871562   -2.5070767   -2.4867735 
+    1737   -2.9871562   -2.5070767   -2.4949589 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 26 x ${x0}
+set atom 26 x 2.65343800981474
+  1 settings made for x
+set atom $i y ${y0}
+set atom 26 y ${y0}
+set atom 26 y 2.85940663787225
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 50
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.95269535421668
+variable        y0 equal ${yi}
+variable        y0 equal 4.50253551358148
+
+set             atom $i x ${xnew}
+set             atom 50 x ${xnew}
+set             atom 50 x 4.86517718672095
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 50 y ${ynew}
+set             atom 50 y 4.4484424387829
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1737   -2.9871562   -2.5070767   -2.4949589 
+    1738   -2.9871562   -2.5070767   -2.4022901 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 50 x ${x0}
+set atom 50 x 4.95269535421668
+  1 settings made for x
+set atom $i y ${y0}
+set atom 50 y ${y0}
+set atom 50 y 4.50253551358148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.16921079794274
+variable        y0 equal ${yi}
+variable        y0 equal 1.86157575032777
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.11262856165276
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.76798061511583
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1738   -2.9871562   -2.5070767   -2.4022901 
+    1739   -2.9871562   -2.5070767   -2.4868289 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.16921079794274
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.86157575032777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 19
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.4949854779112
+variable        y0 equal ${yi}
+variable        y0 equal 0.0935324668884274
+
+set             atom $i x ${xnew}
+set             atom 19 x ${xnew}
+set             atom 19 x 9.43579446552869
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 19 y ${ynew}
+set             atom 19 y 0.0599062919616696
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1739   -2.9871562   -2.5070767   -2.4868289 
+    1740   -2.9871562   -2.5070767    -2.495524 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 19 x ${x0}
+set atom 19 x 9.4949854779112
+  1 settings made for x
+set atom $i y ${y0}
+set atom 19 y ${y0}
+set atom 19 y 0.0935324668884274
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 37
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.45325187602465
+variable        y0 equal ${yi}
+variable        y0 equal 1.81180926940507
+
+set             atom $i x ${xnew}
+set             atom 37 x ${xnew}
+set             atom 37 x 8.38434524693911
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 37 y ${ynew}
+set             atom 37 y 1.87584792754716
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1740   -2.9871562   -2.5070767    -2.495524 
+    1741   -2.9871562   -2.5070767   -2.4758131 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 37 x ${x0}
+set atom 37 x 8.45325187602465
+  1 settings made for x
+set atom $i y ${y0}
+set atom 37 y ${y0}
+set atom 37 y 1.81180926940507
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 73
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.44717097996789
+variable        y0 equal ${yi}
+variable        y0 equal 5.51531081145007
+
+set             atom $i x ${xnew}
+set             atom 73 x ${xnew}
+set             atom 73 x 6.49922751902657
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 73 y ${ynew}
+set             atom 73 y 5.52039463465411
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1741   -2.9871562   -2.5070767   -2.4758131 
+    1742   -2.9871562   -2.5070767     -2.50704 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.50703999488522
+variable naccept equal ${increment}
+variable naccept equal 380
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.26957070906373
+variable        y0 equal ${yi}
+variable        y0 equal 1.93462480685777
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.21577291567536
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.88364169976777
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1742   -2.9871562     -2.50704     -2.50704 
+    1743   -2.9871562     -2.50704   -2.4864035 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.26957070906373
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.93462480685777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 60
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.146871400263
+variable        y0 equal ${yi}
+variable        y0 equal 4.57325408810541
+
+set             atom $i x ${xnew}
+set             atom 60 x ${xnew}
+set             atom 60 x 10.179004168894
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 60 y ${ynew}
+set             atom 60 y 4.54793795699045
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1743   -2.9871562     -2.50704   -2.4864035 
+    1744   -2.9871562     -2.50704   -2.5043968 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 60 x ${x0}
+set atom 60 x 10.146871400263
+  1 settings made for x
+set atom $i y ${y0}
+set atom 60 y ${y0}
+set atom 60 y 4.57325408810541
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.55546174207155
+variable        y0 equal ${yi}
+variable        y0 equal 5.67337435429292
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.58555344500963
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.67622888033586
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1744   -2.9871562     -2.50704   -2.5043968 
+    1745   -2.9871562     -2.50704   -2.5077444 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.50774435236207
+variable naccept equal ${increment}
+variable naccept equal 381
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.46272479374619
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.52176010554034
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1745   -2.9871562   -2.5077444   -2.5077444 
+    1746   -2.9871562   -2.5077444   -2.4842149 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 27
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.18523547410527
+variable        y0 equal ${yi}
+variable        y0 equal 1.96640520474976
+
+set             atom $i x ${xnew}
+set             atom 27 x ${xnew}
+set             atom 27 x 3.13245429753819
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 27 y ${ynew}
+set             atom 27 y 1.95444226644104
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1746   -2.9871562   -2.5077444   -2.4842149 
+    1747   -2.9871562   -2.5077444   -2.4931409 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 27 x ${x0}
+set atom 27 x 3.18523547410527
+  1 settings made for x
+set atom $i y ${y0}
+set atom 27 y ${y0}
+set atom 27 y 1.96640520474976
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.359936702635
+variable        y0 equal ${yi}
+variable        y0 equal 6.46727336184016
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.29028950968
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.46599212423793
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1747   -2.9871562   -2.5077444   -2.4931409 
+    1748   -2.9871562   -2.5077444   -2.5131324 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.51313236168515
+variable naccept equal ${increment}
+variable naccept equal 382
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.9666222687482
+variable        y0 equal ${yi}
+variable        y0 equal 4.61283609026834
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 5.95934512574664
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.55919981354639
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1748   -2.9871562   -2.5131324   -2.5131324 
+    1749   -2.9871562   -2.5131324   -2.4823152 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 52 x ${x0}
+set atom 52 x 5.9666222687482
+  1 settings made for x
+set atom $i y ${y0}
+set atom 52 y ${y0}
+set atom 52 y 4.61283609026834
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.07584694067344
+variable        y0 equal ${yi}
+variable        y0 equal 0.00976005792616981
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 1.9799972716938
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y 0.0391841888427653
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1749   -2.9871562   -2.5131324   -2.4823152 
+    1750   -2.9871562   -2.5131324   -2.4891337 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 5 x ${x0}
+set atom 5 x 2.07584694067344
+  1 settings made for x
+set atom $i y ${y0}
+set atom 5 y ${y0}
+set atom 5 y 0.00976005792616981
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.87741336464225
+variable        y0 equal ${yi}
+variable        y0 equal 6.4556893421792
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.89040735601722
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.45623155371179
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1750   -2.9871562   -2.5131324   -2.4891337 
+    1751   -2.9871562   -2.5131324   -2.5131777 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.51317767501475
+variable naccept equal ${increment}
+variable naccept equal 383
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.07584694067344
+variable        y0 equal ${yi}
+variable        y0 equal 0.00976005792616981
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 2.01925012508735
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y -0.0608327627182089
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1751   -2.9871562   -2.5131777   -2.5131777 
+    1752   -2.9871562   -2.5131777   -2.4877403 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 5 x ${x0}
+set atom 5 x 2.07584694067344
+  1 settings made for x
+set atom $i y ${y0}
+set atom 5 y ${y0}
+set atom 5 y 0.00976005792616981
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 50
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.95269535421668
+variable        y0 equal ${yi}
+variable        y0 equal 4.50253551358148
+
+set             atom $i x ${xnew}
+set             atom 50 x ${xnew}
+set             atom 50 x 5.03468200802146
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 50 y ${ynew}
+set             atom 50 y 4.49622348898813
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1752   -2.9871562   -2.5131777   -2.4877403 
+    1753   -2.9871562   -2.5131777   -2.4439886 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 50 x ${x0}
+set atom 50 x 4.95269535421668
+  1 settings made for x
+set atom $i y ${y0}
+set atom 50 y ${y0}
+set atom 50 y 4.50253551358148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 76
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.12744101880885
+variable        y0 equal ${yi}
+variable        y0 equal 6.56631985441675
+
+set             atom $i x ${xnew}
+set             atom 76 x ${xnew}
+set             atom 76 x 8.16058630346156
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 76 y ${ynew}
+set             atom 76 y 6.6310257031106
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1753   -2.9871562   -2.5131777   -2.4439886 
+    1754   -2.9871562   -2.5131777   -2.4672605 
+Loop time of 5.10216e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 76 x ${x0}
+set atom 76 x 8.12744101880885
+  1 settings made for x
+set atom $i y ${y0}
+set atom 76 y ${y0}
+set atom 76 y 6.56631985441675
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.87285548408023
+variable        y0 equal ${yi}
+variable        y0 equal 8.36937119878825
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.84470409114352
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.3224795452505
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1754   -2.9871562   -2.5131777   -2.4672605 
+    1755   -2.9871562   -2.5131777   -2.5059608 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 92 x ${x0}
+set atom 92 x 5.87285548408023
+  1 settings made for x
+set atom $i y ${y0}
+set atom 92 y ${y0}
+set atom 92 y 8.36937119878825
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.50235789218808
+variable        y0 equal ${yi}
+variable        y0 equal 3.73372400565278
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.48630534807111
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.6640052752031
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1755   -2.9871562   -2.5131777   -2.5059608 
+    1756   -2.9871562   -2.5131777   -2.4966953 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 51 x ${x0}
+set atom 51 x 5.50235789218808
+  1 settings made for x
+set atom $i y ${y0}
+set atom 51 y ${y0}
+set atom 51 y 3.73372400565278
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 67
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.31808795690099
+variable        y0 equal ${yi}
+variable        y0 equal 5.6091846699019
+
+set             atom $i x ${xnew}
+set             atom 67 x ${xnew}
+set             atom 67 x 3.29518801927129
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 67 y ${ynew}
+set             atom 67 y 5.52495191042619
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1756   -2.9871562   -2.5131777   -2.4966953 
+    1757   -2.9871562   -2.5131777   -2.5082252 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 67 x ${x0}
+set atom 67 x 3.31808795690099
+  1 settings made for x
+set atom $i y ${y0}
+set atom 67 y ${y0}
+set atom 67 y 5.6091846699019
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.24185213247205
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y 0.0017435908317541
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1757   -2.9871562   -2.5131777   -2.5082252 
+    1758   -2.9871562   -2.5131777   -2.4994849 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6111590226346
+variable        y0 equal ${yi}
+variable        y0 equal 9.22944378364413
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x 10.6423678119832
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 9.1521979640755
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1758   -2.9871562   -2.5131777   -2.4994849 
+    1759   -2.9871562   -2.5131777   -2.4885771 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 1 x ${x0}
+set atom 1 x 10.6111590226346
+  1 settings made for x
+set atom $i y ${y0}
+set atom 1 y ${y0}
+set atom 1 y 9.22944378364413
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.16921079794274
+variable        y0 equal ${yi}
+variable        y0 equal 1.86157575032777
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.10620518366204
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.92054145715303
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1759   -2.9871562   -2.5131777   -2.4885771 
+    1760   -2.9871562   -2.5131777     -2.51041 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.16921079794274
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.86157575032777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.56329734165441
+variable        y0 equal ${yi}
+variable        y0 equal 3.72885418696535
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.57615352709066
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.69412200017107
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1760   -2.9871562   -2.5131777     -2.51041 
+    1761   -2.9871562   -2.5131777   -2.5067127 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 55 x ${x0}
+set atom 55 x 7.56329734165441
+  1 settings made for x
+set atom $i y ${y0}
+set atom 55 y ${y0}
+set atom 55 y 3.72885418696535
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 63
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.04039912541561
+variable        y0 equal ${yi}
+variable        y0 equal 5.56148483698564
+
+set             atom $i x ${xnew}
+set             atom 63 x ${xnew}
+set             atom 63 x 0.953809681731986
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 63 y ${ynew}
+set             atom 63 y 5.54686884825426
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1761   -2.9871562   -2.5131777   -2.5067127 
+    1762   -2.9871562   -2.5131777   -2.5005611 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 63 x ${x0}
+set atom 63 x 1.04039912541561
+  1 settings made for x
+set atom $i y ${y0}
+set atom 63 y ${y0}
+set atom 63 y 5.56148483698564
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.23979663292276
+variable        y0 equal ${yi}
+variable        y0 equal 5.5713402385016
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.31485514084207
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.48211188261705
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1762   -2.9871562   -2.5131777   -2.5005611 
+    1763   -2.9871562   -2.5131777   -2.4480728 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 65 x ${x0}
+set atom 65 x 2.23979663292276
+  1 settings made for x
+set atom $i y ${y0}
+set atom 65 y ${y0}
+set atom 65 y 5.5713402385016
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.05432130693294
+variable        y0 equal ${yi}
+variable        y0 equal 8.31604041971262
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.00634393094875
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.340197693482
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1763   -2.9871562   -2.5131777   -2.4480728 
+    1764   -2.9871562   -2.5131777   -2.5101476 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.05432130693294
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.31604041971262
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 35
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.37088978130592
+variable        y0 equal ${yi}
+variable        y0 equal 1.86757599494523
+
+set             atom $i x ${xnew}
+set             atom 35 x ${xnew}
+set             atom 35 x 7.45367610294594
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 35 y ${ynew}
+set             atom 35 y 1.92353616139955
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1764   -2.9871562   -2.5131777   -2.5101476 
+    1765   -2.9871562   -2.5131777   -2.4996012 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 35 x ${x0}
+set atom 35 x 7.37088978130592
+  1 settings made for x
+set atom $i y ${y0}
+set atom 35 y ${y0}
+set atom 35 y 1.86757599494523
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.07584694067344
+variable        y0 equal ${yi}
+variable        y0 equal 0.00976005792616981
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 2.02568246761665
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y -0.0245615839958273
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1765   -2.9871562   -2.5131777   -2.4996012 
+    1766   -2.9871562   -2.5131777   -2.5020362 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 5 x ${x0}
+set atom 5 x 2.07584694067344
+  1 settings made for x
+set atom $i y ${y0}
+set atom 5 y ${y0}
+set atom 5 y 0.00976005792616981
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 17
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.44088740506594
+variable        y0 equal ${yi}
+variable        y0 equal 9.25733234393924
+
+set             atom $i x ${xnew}
+set             atom 17 x ${xnew}
+set             atom 17 x 8.49737423816149
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 17 y ${ynew}
+set             atom 17 y 9.2278668593201
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1766   -2.9871562   -2.5131777   -2.5020362 
+    1767   -2.9871562   -2.5131777   -2.5163058 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.51630583929691
+variable naccept equal ${increment}
+variable naccept equal 384
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.15771750847207
+variable        y0 equal ${yi}
+variable        y0 equal 7.45649659958148
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.12267636696206
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.52439054575229
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1767   -2.9871562   -2.5163058   -2.5163058 
+    1768   -2.9871562   -2.5163058   -2.4943738 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.15771750847207
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.45649659958148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.40156468867379
+variable        y0 equal ${yi}
+variable        y0 equal 0.00304889678955437
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.32352469681817
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y 0.060698032379154
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1768   -2.9871562   -2.5163058   -2.4943738 
+    1769   -2.9871562   -2.5163058   -2.4944021 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 13 x ${x0}
+set atom 13 x 6.40156468867379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 13 y ${y0}
+set atom 13 y 0.00304889678955437
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.87285548408023
+variable        y0 equal ${yi}
+variable        y0 equal 8.36937119878825
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.94485397298328
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.37426927007731
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1769   -2.9871562   -2.5163058   -2.4944021 
+    1770   -2.9871562   -2.5163058   -2.5119426 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 92 x ${x0}
+set atom 92 x 5.87285548408023
+  1 settings made for x
+set atom $i y ${y0}
+set atom 92 y ${y0}
+set atom 92 y 8.36937119878825
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 68
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80623258868343
+variable        y0 equal ${yi}
+variable        y0 equal 6.50073292986383
+
+set             atom $i x ${xnew}
+set             atom 68 x ${xnew}
+set             atom 68 x 3.76017001191265
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 68 y ${ynew}
+set             atom 68 y 6.43133811489572
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1770   -2.9871562   -2.5163058   -2.5119426 
+    1771   -2.9871562   -2.5163058   -2.4825077 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 68 x ${x0}
+set atom 68 x 3.80623258868343
+  1 settings made for x
+set atom $i y ${y0}
+set atom 68 y ${y0}
+set atom 68 y 6.50073292986383
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.19388546387063
+variable        y0 equal ${yi}
+variable        y0 equal 3.77270575328004
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.25757455269204
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.80100779099595
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1771   -2.9871562   -2.5163058   -2.4825077 
+    1772   -2.9871562   -2.5163058   -2.5014542 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 45 x ${x0}
+set atom 45 x 2.19388546387063
+  1 settings made for x
+set atom $i y ${y0}
+set atom 45 y ${y0}
+set atom 45 y 3.77270575328004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 24
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.63001570582171
+variable        y0 equal ${yi}
+variable        y0 equal 2.83223057957987
+
+set             atom $i x ${xnew}
+set             atom 24 x ${xnew}
+set             atom 24 x 1.64265966295977
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 24 y ${ynew}
+set             atom 24 y 2.75750827761988
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1772   -2.9871562   -2.5163058   -2.5014542 
+    1773   -2.9871562   -2.5163058   -2.5144034 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 24 x ${x0}
+set atom 24 x 1.63001570582171
+  1 settings made for x
+set atom $i y ${y0}
+set atom 24 y ${y0}
+set atom 24 y 2.83223057957987
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.08689599949867
+variable        y0 equal ${yi}
+variable        y0 equal 4.81755102032586
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 9.16288858372719
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.74496568793221
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1773   -2.9871562   -2.5163058   -2.5144034 
+    1774   -2.9871562   -2.5163058   -2.5320121 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.53201208215228
+variable naccept equal ${increment}
+variable naccept equal 385
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.69106418092681
+variable        y0 equal ${yi}
+variable        y0 equal 0.920749815214004
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.67234798868133
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 0.861188097703781
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1774   -2.9871562   -2.5320121   -2.5320121 
+    1775   -2.9871562   -2.5320121   -2.5237006 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 6 x ${x0}
+set atom 6 x 2.69106418092681
+  1 settings made for x
+set atom $i y ${y0}
+set atom 6 y ${y0}
+set atom 6 y 0.920749815214004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 100
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.131702781107
+variable        y0 equal ${yi}
+variable        y0 equal 8.31063791431484
+
+set             atom $i x ${xnew}
+set             atom 100 x ${xnew}
+set             atom 100 x 10.1819606308003
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 100 y ${ynew}
+set             atom 100 y 8.34119096912441
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1775   -2.9871562   -2.5320121   -2.5237006 
+    1776   -2.9871562   -2.5320121   -2.5240688 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 100 x ${x0}
+set atom 100 x 10.131702781107
+  1 settings made for x
+set atom $i y ${y0}
+set atom 100 y ${y0}
+set atom 100 y 8.31063791431484
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.26957070906373
+variable        y0 equal ${yi}
+variable        y0 equal 1.93462480685777
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.19809427340241
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.85901639840669
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1776   -2.9871562   -2.5320121   -2.5240688 
+    1777   -2.9871562   -2.5320121   -2.4892408 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.26957070906373
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.93462480685777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 86
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.71264111001922
+variable        y0 equal ${yi}
+variable        y0 equal 8.37165092147884
+
+set             atom $i x ${xnew}
+set             atom 86 x ${xnew}
+set             atom 86 x 2.75564029415084
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 86 y ${ynew}
+set             atom 86 y 8.43244019664821
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1777   -2.9871562   -2.5320121   -2.4892408 
+    1778   -2.9871562   -2.5320121    -2.524711 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 86 x ${x0}
+set atom 86 x 2.71264111001922
+  1 settings made for x
+set atom $i y ${y0}
+set atom 86 y ${y0}
+set atom 86 y 8.37165092147884
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.89040735601722
+variable        y0 equal ${yi}
+variable        y0 equal 6.45623155371179
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.87680812715827
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.54021814600458
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1778   -2.9871562   -2.5320121    -2.524711 
+    1779   -2.9871562   -2.5320121   -2.5187854 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 4.89040735601722
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.45623155371179
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.54554458140013
+variable        y0 equal ${yi}
+variable        y0 equal 3.70140816731585
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.53200154780028
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.64820042414797
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1779   -2.9871562   -2.5320121   -2.5187854 
+    1780   -2.9871562   -2.5320121   -2.5194447 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 59 x ${x0}
+set atom 59 x 9.54554458140013
+  1 settings made for x
+set atom $i y ${y0}
+set atom 59 y ${y0}
+set atom 59 y 3.70140816731585
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 99
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.7112571763861
+variable        y0 equal ${yi}
+variable        y0 equal 7.38156818475986
+
+set             atom $i x ${xnew}
+set             atom 99 x ${xnew}
+set             atom 99 x 9.6195641326773
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 99 y ${ynew}
+set             atom 99 y 7.41088972416187
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1780   -2.9871562   -2.5320121   -2.5194447 
+    1781   -2.9871562   -2.5320121   -2.5154263 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 99 x ${x0}
+set atom 99 x 9.7112571763861
+  1 settings made for x
+set atom $i y ${y0}
+set atom 99 y ${y0}
+set atom 99 y 7.38156818475986
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 30
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.8951647126609
+variable        y0 equal ${yi}
+variable        y0 equal 2.85868977280953
+
+set             atom $i x ${xnew}
+set             atom 30 x ${xnew}
+set             atom 30 x 4.90123786567985
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 30 y ${ynew}
+set             atom 30 y 2.84607984992364
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1781   -2.9871562   -2.5320121   -2.5154263 
+    1782   -2.9871562   -2.5320121   -2.5313315 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 30 x ${x0}
+set atom 30 x 4.8951647126609
+  1 settings made for x
+set atom $i y ${y0}
+set atom 30 y ${y0}
+set atom 30 y 2.85868977280953
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.78193971434718
+variable        y0 equal ${yi}
+variable        y0 equal 8.31736352361736
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.83009337702876
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.31730835355816
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1782   -2.9871562   -2.5320121   -2.5313315 
+    1783   -2.9871562   -2.5320121   -2.5235009 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.78193971434718
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.31736352361736
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 98
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.09545654971154
+variable        y0 equal ${yi}
+variable        y0 equal 8.37382508434351
+
+set             atom $i x ${xnew}
+set             atom 98 x ${xnew}
+set             atom 98 x 9.04626440722497
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 98 y ${ynew}
+set             atom 98 y 8.31296929039057
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1783   -2.9871562   -2.5320121   -2.5235009 
+    1784   -2.9871562   -2.5320121   -2.5169016 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 98 x ${x0}
+set atom 98 x 9.09545654971154
+  1 settings made for x
+set atom $i y ${y0}
+set atom 98 y ${y0}
+set atom 98 y 8.37382508434351
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.9666222687482
+variable        y0 equal ${yi}
+variable        y0 equal 4.61283609026834
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 5.96121762950412
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.71035056466028
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1784   -2.9871562   -2.5320121   -2.5169016 
+    1785   -2.9871562   -2.5320121   -2.5247046 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 52 x ${x0}
+set atom 52 x 5.9666222687482
+  1 settings made for x
+set atom $i y ${y0}
+set atom 52 y ${y0}
+set atom 52 y 4.61283609026834
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 24
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.63001570582171
+variable        y0 equal ${yi}
+variable        y0 equal 2.83223057957987
+
+set             atom $i x ${xnew}
+set             atom 24 x ${xnew}
+set             atom 24 x 1.58208489298602
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 24 y ${ynew}
+set             atom 24 y 2.82815018864969
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1785   -2.9871562   -2.5320121   -2.5247046 
+    1786   -2.9871562   -2.5320121   -2.5307212 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 24 x ${x0}
+set atom 24 x 1.63001570582171
+  1 settings made for x
+set atom $i y ${y0}
+set atom 24 y ${y0}
+set atom 24 y 2.83223057957987
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 24
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.63001570582171
+variable        y0 equal ${yi}
+variable        y0 equal 2.83223057957987
+
+set             atom $i x ${xnew}
+set             atom 24 x ${xnew}
+set             atom 24 x 1.59829139590045
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 24 y ${ynew}
+set             atom 24 y 2.77385951253275
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1786   -2.9871562   -2.5320121   -2.5307212 
+    1787   -2.9871562   -2.5320121   -2.5340111 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.53401108393171
+variable naccept equal ${increment}
+variable naccept equal 386
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 26
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.65343800981474
+variable        y0 equal ${yi}
+variable        y0 equal 2.85940663787225
+
+set             atom $i x ${xnew}
+set             atom 26 x ${xnew}
+set             atom 26 x 2.61068279941511
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 26 y ${ynew}
+set             atom 26 y 2.94007375213006
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1787   -2.9871562   -2.5340111   -2.5340111 
+    1788   -2.9871562   -2.5340111   -2.4914221 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 26 x ${x0}
+set atom 26 x 2.65343800981474
+  1 settings made for x
+set atom $i y ${y0}
+set atom 26 y ${y0}
+set atom 26 y 2.85940663787225
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 7
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.22492432355444
+variable        y0 equal ${yi}
+variable        y0 equal 0.0240613460540867
+
+set             atom $i x ${xnew}
+set             atom 7 x ${xnew}
+set             atom 7 x 3.24992654084723
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 7 y ${ynew}
+set             atom 7 y 0.103712129592905
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1788   -2.9871562   -2.5340111   -2.4914221 
+    1789   -2.9871562   -2.5340111   -2.5171975 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 7 x ${x0}
+set atom 7 x 3.22492432355444
+  1 settings made for x
+set atom $i y ${y0}
+set atom 7 y ${y0}
+set atom 7 y 0.0240613460540867
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.78193971434718
+variable        y0 equal ${yi}
+variable        y0 equal 8.31736352361736
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.85504639664775
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.33264021791515
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1789   -2.9871562   -2.5340111   -2.5171975 
+    1790   -2.9871562   -2.5340111   -2.5161286 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.78193971434718
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.31736352361736
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6911063273601
+variable        y0 equal ${yi}
+variable        y0 equal 5.45732250158982
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x 10.6063891251735
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.43152117674546
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1790   -2.9871562   -2.5340111   -2.5161286 
+    1791   -2.9871562   -2.5340111   -2.5028867 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 61 x ${x0}
+set atom 61 x 10.6911063273601
+  1 settings made for x
+set atom $i y ${y0}
+set atom 61 y ${y0}
+set atom 61 y 5.45732250158982
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 50
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.95269535421668
+variable        y0 equal ${yi}
+variable        y0 equal 4.50253551358148
+
+set             atom $i x ${xnew}
+set             atom 50 x ${xnew}
+set             atom 50 x 4.85977686285316
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 50 y ${ynew}
+set             atom 50 y 4.4265338456051
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1791   -2.9871562   -2.5340111   -2.5028867 
+    1792   -2.9871562   -2.5340111   -2.3593919 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 50 x ${x0}
+set atom 50 x 4.95269535421668
+  1 settings made for x
+set atom $i y ${y0}
+set atom 50 y ${y0}
+set atom 50 y 4.50253551358148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 78
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.15111655909569
+variable        y0 equal ${yi}
+variable        y0 equal 6.52915453449718
+
+set             atom $i x ${xnew}
+set             atom 78 x ${xnew}
+set             atom 78 x 9.11199482399971
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 78 y ${ynew}
+set             atom 78 y 6.51146558062068
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1792   -2.9871562   -2.5340111   -2.3593919 
+    1793   -2.9871562   -2.5340111   -2.5214786 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 78 x ${x0}
+set atom 78 x 9.15111655909569
+  1 settings made for x
+set atom $i y ${y0}
+set atom 78 y ${y0}
+set atom 78 y 6.52915453449718
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 60
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.146871400263
+variable        y0 equal ${yi}
+variable        y0 equal 4.57325408810541
+
+set             atom $i x ${xnew}
+set             atom 60 x ${xnew}
+set             atom 60 x 10.1301814798376
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 60 y ${ynew}
+set             atom 60 y 4.49219125861093
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1793   -2.9871562   -2.5340111   -2.5214786 
+    1794   -2.9871562   -2.5340111   -2.5207245 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 60 x ${x0}
+set atom 60 x 10.146871400263
+  1 settings made for x
+set atom $i y ${y0}
+set atom 60 y ${y0}
+set atom 60 y 4.57325408810541
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.42002700646134
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.50465547983844
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1794   -2.9871562   -2.5340111   -2.5207245 
+    1795   -2.9871562   -2.5340111   -2.5289775 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 19
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.4949854779112
+variable        y0 equal ${yi}
+variable        y0 equal 0.0935324668884274
+
+set             atom $i x ${xnew}
+set             atom 19 x ${xnew}
+set             atom 19 x 9.49153032778379
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 19 y ${ynew}
+set             atom 19 y 0.0782125592231747
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1795   -2.9871562   -2.5340111   -2.5289775 
+    1796   -2.9871562   -2.5340111   -2.5354724 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.53547244005368
+variable naccept equal ${increment}
+variable naccept equal 387
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.6009168970563
+variable        y0 equal ${yi}
+variable        y0 equal 0.937610264528124
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.53957323908587
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 1.03376293967995
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1796   -2.9871562   -2.5354724   -2.5354724 
+    1797   -2.9871562   -2.5354724   -2.4931108 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 4 x ${x0}
+set atom 4 x 1.6009168970563
+  1 settings made for x
+set atom $i y ${y0}
+set atom 4 y ${y0}
+set atom 4 y 0.937610264528124
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 67
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.31808795690099
+variable        y0 equal ${yi}
+variable        y0 equal 5.6091846699019
+
+set             atom $i x ${xnew}
+set             atom 67 x ${xnew}
+set             atom 67 x 3.32838350295583
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 67 y ${ynew}
+set             atom 67 y 5.60614974444109
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1797   -2.9871562   -2.5354724   -2.4931108 
+    1798   -2.9871562   -2.5354724   -2.5346971 
+Loop time of 6.10352e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 67 x ${x0}
+set atom 67 x 3.31808795690099
+  1 settings made for x
+set atom $i y ${y0}
+set atom 67 y ${y0}
+set atom 67 y 5.6091846699019
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.46753388483297
+variable        y0 equal ${yi}
+variable        y0 equal 0.0335806965827942
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.5212953909136
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y 0.0502413988113403
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1798   -2.9871562   -2.5354724   -2.5346971 
+    1799   -2.9871562   -2.5354724   -2.5206127 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 15 x ${x0}
+set atom 15 x 7.46753388483297
+  1 settings made for x
+set atom $i y ${y0}
+set atom 15 y ${y0}
+set atom 15 y 0.0335806965827942
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6111590226346
+variable        y0 equal ${yi}
+variable        y0 equal 9.22944378364413
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x 10.5878455599004
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 9.28117802846759
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1799   -2.9871562   -2.5354724   -2.5206127 
+    1800   -2.9871562   -2.5354724   -2.5375404 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.5375403551196
+variable naccept equal ${increment}
+variable naccept equal 388
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.33098243871595
+variable        y0 equal ${yi}
+variable        y0 equal 1.91473032615251
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.31596373716261
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 1.83819601914949
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1800   -2.9871562   -2.5375404   -2.5375404 
+    1801   -2.9871562   -2.5375404   -2.5390685 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.53906853725655
+variable naccept equal ${increment}
+variable naccept equal 389
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 10
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.77766234516441
+variable        y0 equal ${yi}
+variable        y0 equal 0.927607925641864
+
+set             atom $i x ${xnew}
+set             atom 10 x ${xnew}
+set             atom 10 x 4.70629324554741
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 10 y ${ynew}
+set             atom 10 y 0.897528763521045
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1801   -2.9871562   -2.5390685   -2.5390685 
+    1802   -2.9871562   -2.5390685   -2.5227815 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 10 x ${x0}
+set atom 10 x 4.77766234516441
+  1 settings made for x
+set atom $i y ${y0}
+set atom 10 y ${y0}
+set atom 10 y 0.927607925641864
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 60
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.146871400263
+variable        y0 equal ${yi}
+variable        y0 equal 4.57325408810541
+
+set             atom $i x ${xnew}
+set             atom 60 x ${xnew}
+set             atom 60 x 10.1318718437216
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 60 y ${ynew}
+set             atom 60 y 4.48601099604532
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1802   -2.9871562   -2.5390685   -2.5227815 
+    1803   -2.9871562   -2.5390685   -2.5244269 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 60 x ${x0}
+set atom 60 x 10.146871400263
+  1 settings made for x
+set atom $i y ${y0}
+set atom 60 y ${y0}
+set atom 60 y 4.57325408810541
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 67
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.31808795690099
+variable        y0 equal ${yi}
+variable        y0 equal 5.6091846699019
+
+set             atom $i x ${xnew}
+set             atom 67 x ${xnew}
+set             atom 67 x 3.36902109145681
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 67 y ${ynew}
+set             atom 67 y 5.5719395155211
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1803   -2.9871562   -2.5390685   -2.5244269 
+    1804   -2.9871562   -2.5390685   -2.5306213 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 67 x ${x0}
+set atom 67 x 3.31808795690099
+  1 settings made for x
+set atom $i y ${y0}
+set atom 67 y ${y0}
+set atom 67 y 5.6091846699019
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.54407576480333
+variable        y0 equal ${yi}
+variable        y0 equal 3.66106940074097
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.59269353309099
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.58151417536866
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1804   -2.9871562   -2.5390685   -2.5306213 
+    1805   -2.9871562   -2.5390685   -2.5119458 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 57 x ${x0}
+set atom 57 x 8.54407576480333
+  1 settings made for x
+set atom $i y ${y0}
+set atom 57 y ${y0}
+set atom 57 y 3.66106940074097
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 26
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.65343800981474
+variable        y0 equal ${yi}
+variable        y0 equal 2.85940663787225
+
+set             atom $i x ${xnew}
+set             atom 26 x ${xnew}
+set             atom 26 x 2.64682299097014
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 26 y ${ynew}
+set             atom 26 y 2.94914935799936
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1805   -2.9871562   -2.5390685   -2.5119458 
+    1806   -2.9871562   -2.5390685    -2.500222 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 26 x ${x0}
+set atom 26 x 2.65343800981474
+  1 settings made for x
+set atom $i y ${y0}
+set atom 26 y ${y0}
+set atom 26 y 2.85940663787225
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.05432130693294
+variable        y0 equal ${yi}
+variable        y0 equal 8.31604041971262
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 7.9730439126382
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.29894748844202
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1806   -2.9871562   -2.5390685    -2.500222 
+    1807   -2.9871562   -2.5390685   -2.5216719 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.05432130693294
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.31604041971262
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.9666222687482
+variable        y0 equal ${yi}
+variable        y0 equal 4.61283609026834
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 5.94641846377841
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.67712874764368
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1807   -2.9871562   -2.5390685   -2.5216719 
+    1808   -2.9871562   -2.5390685    -2.541029 
+Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.5410289675105
+variable naccept equal ${increment}
+variable naccept equal 390
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.94641846377841
+variable        y0 equal ${yi}
+variable        y0 equal 4.67712874764368
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 5.87159434516421
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.60688097828791
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1808   -2.9871562    -2.541029    -2.541029 
+    1809   -2.9871562    -2.541029   -2.4854308 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 52 x ${x0}
+set atom 52 x 5.94641846377841
+  1 settings made for x
+set atom $i y ${y0}
+set atom 52 y ${y0}
+set atom 52 y 4.67712874764368
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 63
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.04039912541561
+variable        y0 equal ${yi}
+variable        y0 equal 5.56148483698564
+
+set             atom $i x ${xnew}
+set             atom 63 x ${xnew}
+set             atom 63 x 1.10637924988918
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 63 y ${ynew}
+set             atom 63 y 5.49794350807863
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1809   -2.9871562    -2.541029   -2.4854308 
+    1810   -2.9871562    -2.541029   -2.5234507 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 63 x ${x0}
+set atom 63 x 1.04039912541561
+  1 settings made for x
+set atom $i y ${y0}
+set atom 63 y ${y0}
+set atom 63 y 5.56148483698564
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 32
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.90086858232013
+variable        y0 equal ${yi}
+variable        y0 equal 2.85332814427712
+
+set             atom $i x ${xnew}
+set             atom 32 x ${xnew}
+set             atom 32 x 5.98288409669391
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 32 y ${ynew}
+set             atom 32 y 2.79886004897454
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1810   -2.9871562    -2.541029   -2.5234507 
+    1811   -2.9871562    -2.541029   -2.5340777 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 32 x ${x0}
+set atom 32 x 5.90086858232013
+  1 settings made for x
+set atom $i y ${y0}
+set atom 32 y ${y0}
+set atom 32 y 2.85332814427712
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.87285548408023
+variable        y0 equal ${yi}
+variable        y0 equal 8.36937119878825
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.82827498872272
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.46438046611842
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1811   -2.9871562    -2.541029   -2.5340777 
+    1812   -2.9871562    -2.541029   -2.5188594 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 92 x ${x0}
+set atom 92 x 5.87285548408023
+  1 settings made for x
+set atom $i y ${y0}
+set atom 92 y ${y0}
+set atom 92 y 8.36937119878825
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.545649071136379
+variable        y0 equal ${yi}
+variable        y0 equal 2.77431966039041
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.523390586772823
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.86584377261499
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1812   -2.9871562    -2.541029   -2.5188594 
+    1813   -2.9871562    -2.541029   -2.5182184 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.545649071136379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.77431966039041
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 63
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.04039912541561
+variable        y0 equal ${yi}
+variable        y0 equal 5.56148483698564
+
+set             atom $i x ${xnew}
+set             atom 63 x ${xnew}
+set             atom 63 x 1.12589649279766
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 63 y ${ynew}
+set             atom 63 y 5.54788522665697
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1813   -2.9871562    -2.541029   -2.5182184 
+    1814   -2.9871562    -2.541029   -2.5360361 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 63 x ${x0}
+set atom 63 x 1.04039912541561
+  1 settings made for x
+set atom $i y ${y0}
+set atom 63 y ${y0}
+set atom 63 y 5.56148483698564
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 82
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.44764589826193
+variable        y0 equal ${yi}
+variable        y0 equal 8.32563534893091
+
+set             atom $i x ${xnew}
+set             atom 82 x ${xnew}
+set             atom 82 x 0.536132176319028
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 82 y ${ynew}
+set             atom 82 y 8.38413363613184
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1814   -2.9871562    -2.541029   -2.5360361 
+    1815   -2.9871562    -2.541029   -2.5182613 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 82 x ${x0}
+set atom 82 x 0.44764589826193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 82 y ${y0}
+set atom 82 y 8.32563534893091
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 10
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.77766234516441
+variable        y0 equal ${yi}
+variable        y0 equal 0.927607925641864
+
+set             atom $i x ${xnew}
+set             atom 10 x ${xnew}
+set             atom 10 x 4.75146712898552
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 10 y ${ynew}
+set             atom 10 y 0.881888659704059
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1815   -2.9871562    -2.541029   -2.5182613 
+    1816   -2.9871562    -2.541029   -2.5317059 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 10 x ${x0}
+set atom 10 x 4.77766234516441
+  1 settings made for x
+set atom $i y ${y0}
+set atom 10 y ${y0}
+set atom 10 y 0.927607925641864
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.07584694067344
+variable        y0 equal ${yi}
+variable        y0 equal 0.00976005792616981
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 1.98588935772285
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y -0.0010746359825216
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1816   -2.9871562    -2.541029   -2.5317059 
+    1817   -2.9871562    -2.541029   -2.5218384 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 5 x ${x0}
+set atom 5 x 2.07584694067344
+  1 settings made for x
+set atom $i y ${y0}
+set atom 5 y ${y0}
+set atom 5 y 0.00976005792616981
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.32252682526322
+variable        y0 equal ${yi}
+variable        y0 equal 7.38917808857226
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.23539362032624
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.45632248249316
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1817   -2.9871562    -2.541029   -2.5218384 
+    1818   -2.9871562    -2.541029   -2.5244965 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 89 x ${x0}
+set atom 89 x 4.32252682526322
+  1 settings made for x
+set atom $i y ${y0}
+set atom 89 y ${y0}
+set atom 89 y 7.38917808857226
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1789412740728
+variable        y0 equal ${yi}
+variable        y0 equal 2.78276804658273
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.08199476042
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.82129533263543
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1818   -2.9871562    -2.541029   -2.5244965 
+    1819   -2.9871562    -2.541029   -2.5226732 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.1789412740728
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.78276804658273
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 73
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.49922751902657
+variable        y0 equal ${yi}
+variable        y0 equal 5.52039463465411
+
+set             atom $i x ${xnew}
+set             atom 73 x ${xnew}
+set             atom 73 x 6.4633318614872
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 73 y ${ynew}
+set             atom 73 y 5.51845455115039
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1819   -2.9871562    -2.541029   -2.5226732 
+    1820   -2.9871562    -2.541029   -2.5395864 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 73 x ${x0}
+set atom 73 x 6.49922751902657
+  1 settings made for x
+set atom $i y ${y0}
+set atom 73 y ${y0}
+set atom 73 y 5.52039463465411
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80759401837473
+variable        y0 equal ${yi}
+variable        y0 equal 4.6440585290806
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.77720305243616
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.73006766194269
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1820   -2.9871562    -2.541029   -2.5395864 
+    1821   -2.9871562    -2.541029   -2.5193222 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 48 x ${x0}
+set atom 48 x 3.80759401837473
+  1 settings made for x
+set atom $i y ${y0}
+set atom 48 y ${y0}
+set atom 48 y 4.6440585290806
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 94
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.99553199091598
+variable        y0 equal ${yi}
+variable        y0 equal 8.37164120592174
+
+set             atom $i x ${xnew}
+set             atom 94 x ${xnew}
+set             atom 94 x 7.05071701088592
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 94 y ${ynew}
+set             atom 94 y 8.41448885120449
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1821   -2.9871562    -2.541029   -2.5193222 
+    1822   -2.9871562    -2.541029   -2.5309825 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 94 x ${x0}
+set atom 94 x 6.99553199091598
+  1 settings made for x
+set atom $i y ${y0}
+set atom 94 y ${y0}
+set atom 94 y 8.37164120592174
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.26957070906373
+variable        y0 equal ${yi}
+variable        y0 equal 1.93462480685777
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.32339063961717
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.84028247973985
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1822   -2.9871562    -2.541029   -2.5309825 
+    1823   -2.9871562    -2.541029   -2.5197912 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.26957070906373
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.93462480685777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.98550258834353
+variable        y0 equal ${yi}
+variable        y0 equal 6.47227353588572
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 5.99108362157336
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.47729490534296
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1823   -2.9871562    -2.541029   -2.5197912 
+    1824   -2.9871562    -2.541029   -2.5409025 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 72 x ${x0}
+set atom 72 x 5.98550258834353
+  1 settings made for x
+set atom $i y ${y0}
+set atom 72 y ${y0}
+set atom 72 y 6.47227353588572
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 9
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.24272296507568
+variable        y0 equal ${yi}
+variable        y0 equal 0.0256201386451842
+
+set             atom $i x ${xnew}
+set             atom 9 x ${xnew}
+set             atom 9 x 4.14610737641067
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 9 y ${ynew}
+set             atom 9 y 0.0944638848304869
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1824   -2.9871562    -2.541029   -2.5409025 
+    1825   -2.9871562    -2.541029   -2.4957967 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 9 x ${x0}
+set atom 9 x 4.24272296507568
+  1 settings made for x
+set atom $i y ${y0}
+set atom 9 y ${y0}
+set atom 9 y 0.0256201386451842
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.50235789218808
+variable        y0 equal ${yi}
+variable        y0 equal 3.73372400565278
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.54929796853925
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.83281788392198
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1825   -2.9871562    -2.541029   -2.4957967 
+    1826   -2.9871562    -2.541029   -2.4605601 
+Loop time of 3.88622e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 51 x ${x0}
+set atom 51 x 5.50235789218808
+  1 settings made for x
+set atom $i y ${y0}
+set atom 51 y ${y0}
+set atom 51 y 3.73372400565278
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.99518160540611
+variable        y0 equal ${yi}
+variable        y0 equal 0.952992590177384
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 8.98599239308387
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 0.925951715219346
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1826   -2.9871562    -2.541029   -2.4605601 
+    1827   -2.9871562    -2.541029   -2.5451196 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.54511963377463
+variable naccept equal ${increment}
+variable naccept equal 391
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 98
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.09545654971154
+variable        y0 equal ${yi}
+variable        y0 equal 8.37382508434351
+
+set             atom $i x ${xnew}
+set             atom 98 x ${xnew}
+set             atom 98 x 9.04594708401711
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 98 y ${ynew}
+set             atom 98 y 8.40107831872995
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1827   -2.9871562   -2.5451196   -2.5451196 
+    1828   -2.9871562   -2.5451196   -2.5303693 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 98 x ${x0}
+set atom 98 x 9.09545654971154
+  1 settings made for x
+set atom $i y ${y0}
+set atom 98 y ${y0}
+set atom 98 y 8.37382508434351
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.98549635687515
+variable        y0 equal ${yi}
+variable        y0 equal 2.82734158011773
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 7.0770720032756
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.75781829329827
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1828   -2.9871562   -2.5451196   -2.5303693 
+    1829   -2.9871562   -2.5451196   -2.4839984 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 34 x ${x0}
+set atom 34 x 6.98549635687515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 34 y ${y0}
+set atom 34 y 2.82734158011773
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.41745940843489
+variable        y0 equal ${yi}
+variable        y0 equal 5.54884942715364
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.45588709512617
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.57183984463411
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1829   -2.9871562   -2.5451196   -2.4839984 
+    1830   -2.9871562   -2.5451196   -2.5421241 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 71 x ${x0}
+set atom 71 x 5.41745940843489
+  1 settings made for x
+set atom $i y ${y0}
+set atom 71 y ${y0}
+set atom 71 y 5.54884942715364
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.24420675992527
+variable        y0 equal ${yi}
+variable        y0 equal 3.73567457957399
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.22927008628407
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.77664699120653
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1830   -2.9871562   -2.5451196   -2.5421241 
+    1831   -2.9871562   -2.5451196   -2.5412552 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 47 x ${x0}
+set atom 47 x 3.24420675992527
+  1 settings made for x
+set atom $i y ${y0}
+set atom 47 y ${y0}
+set atom 47 y 3.73567457957399
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6911063273601
+variable        y0 equal ${yi}
+variable        y0 equal 5.45732250158982
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x 10.6718435128383
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.40470645373063
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1831   -2.9871562   -2.5451196   -2.5412552 
+    1832   -2.9871562   -2.5451196     -2.52658 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 61 x ${x0}
+set atom 61 x 10.6911063273601
+  1 settings made for x
+set atom $i y ${y0}
+set atom 61 y ${y0}
+set atom 61 y 5.45732250158982
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.16921079794274
+variable        y0 equal ${yi}
+variable        y0 equal 1.86157575032777
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.20143455902444
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.90381513021058
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1832   -2.9871562   -2.5451196     -2.52658 
+    1833   -2.9871562   -2.5451196    -2.535609 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.16921079794274
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.86157575032777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 50
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.95269535421668
+variable        y0 equal ${yi}
+variable        y0 equal 4.50253551358148
+
+set             atom $i x ${xnew}
+set             atom 50 x ${xnew}
+set             atom 50 x 4.96236024736701
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 50 y ${ynew}
+set             atom 50 y 4.44546908492013
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1833   -2.9871562   -2.5451196    -2.535609 
+    1834   -2.9871562   -2.5451196   -2.4635655 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 50 x ${x0}
+set atom 50 x 4.95269535421668
+  1 settings made for x
+set atom $i y ${y0}
+set atom 50 y ${y0}
+set atom 50 y 4.50253551358148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.7265060384922
+variable        y0 equal ${yi}
+variable        y0 equal 1.84549867293901
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x 10.6857234438114
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 1.75850278518266
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1834   -2.9871562   -2.5451196   -2.4635655 
+    1835   -2.9871562   -2.5451196   -2.5099441 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 21 x ${x0}
+set atom 21 x 10.7265060384922
+  1 settings made for x
+set atom $i y ${y0}
+set atom 21 y ${y0}
+set atom 21 y 1.84549867293901
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.41745940843489
+variable        y0 equal ${yi}
+variable        y0 equal 5.54884942715364
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.35778102079298
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.53211250250536
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1835   -2.9871562   -2.5451196   -2.5099441 
+    1836   -2.9871562   -2.5451196   -2.5369734 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 71 x ${x0}
+set atom 71 x 5.41745940843489
+  1 settings made for x
+set atom $i y ${y0}
+set atom 71 y ${y0}
+set atom 71 y 5.54884942715364
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.31794871170731
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.59519058411319
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1836   -2.9871562   -2.5451196   -2.5369734 
+    1837   -2.9871562   -2.5451196   -2.5336355 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.29028950968
+variable        y0 equal ${yi}
+variable        y0 equal 6.46599212423793
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.209429288294
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.4327117516183
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1837   -2.9871562   -2.5451196   -2.5336355 
+    1838   -2.9871562   -2.5451196   -2.5218619 
+Loop time of 7.70092e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 80 x ${x0}
+set atom 80 x 10.29028950968
+  1 settings made for x
+set atom $i y ${y0}
+set atom 80 y ${y0}
+set atom 80 y 6.46599212423793
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.5878455599004
+variable        y0 equal ${yi}
+variable        y0 equal 9.28117802846759
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x 10.5382596333677
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 9.3042393158707
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1838   -2.9871562   -2.5451196   -2.5218619 
+    1839   -2.9871562   -2.5451196   -2.5366804 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 1 x ${x0}
+set atom 1 x 10.5878455599004
+  1 settings made for x
+set atom $i y ${y0}
+set atom 1 y ${y0}
+set atom 1 y 9.28117802846759
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 66
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74727117021515
+variable        y0 equal ${yi}
+variable        y0 equal 6.50648560062877
+
+set             atom $i x ${xnew}
+set             atom 66 x ${xnew}
+set             atom 66 x 2.81043250759079
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 66 y ${ynew}
+set             atom 66 y 6.55555092827312
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1839   -2.9871562   -2.5451196   -2.5366804 
+    1840   -2.9871562   -2.5451196   -2.5128816 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 66 x ${x0}
+set atom 66 x 2.74727117021515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 66 y ${y0}
+set atom 66 y 6.50648560062877
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.98549635687515
+variable        y0 equal ${yi}
+variable        y0 equal 2.82734158011773
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 6.94978266039535
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.78001506301263
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1840   -2.9871562   -2.5451196   -2.5128816 
+    1841   -2.9871562   -2.5451196   -2.5414457 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 34 x ${x0}
+set atom 34 x 6.98549635687515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 34 y ${y0}
+set atom 34 y 2.82734158011773
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1789412740728
+variable        y0 equal ${yi}
+variable        y0 equal 2.78276804658273
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.2219241146108
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.69119696589807
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1841   -2.9871562   -2.5451196   -2.5414457 
+    1842   -2.9871562   -2.5451196   -2.5309078 
+Loop time of 8.39233e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.1789412740728
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.78276804658273
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.29028950968
+variable        y0 equal ${yi}
+variable        y0 equal 6.46599212423793
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.3734088186285
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.49223192469112
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1842   -2.9871562   -2.5451196   -2.5309078 
+    1843   -2.9871562   -2.5451196   -2.5321419 
+Loop time of 7.79629e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 80 x ${x0}
+set atom 80 x 10.29028950968
+  1 settings made for x
+set atom $i y ${y0}
+set atom 80 y ${y0}
+set atom 80 y 6.46599212423793
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 30
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.8951647126609
+variable        y0 equal ${yi}
+variable        y0 equal 2.85868977280953
+
+set             atom $i x ${xnew}
+set             atom 30 x ${xnew}
+set             atom 30 x 4.93561546444236
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 30 y ${ynew}
+set             atom 30 y 2.93322390290597
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1843   -2.9871562   -2.5451196   -2.5321419 
+    1844   -2.9871562   -2.5451196    -2.509483 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 30 x ${x0}
+set atom 30 x 4.8951647126609
+  1 settings made for x
+set atom $i y ${y0}
+set atom 30 y ${y0}
+set atom 30 y 2.85868977280953
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.35422850051785
+variable        y0 equal ${yi}
+variable        y0 equal 7.41203050937915
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.43774528900052
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.39252740469241
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1844   -2.9871562   -2.5451196    -2.509483 
+    1845   -2.9871562   -2.5451196   -2.5423623 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 91 x ${x0}
+set atom 91 x 5.35422850051785
+  1 settings made for x
+set atom $i y ${y0}
+set atom 91 y ${y0}
+set atom 91 y 7.41203050937915
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 75
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.54070384342442
+variable        y0 equal ${yi}
+variable        y0 equal 5.62746680920321
+
+set             atom $i x ${xnew}
+set             atom 75 x ${xnew}
+set             atom 75 x 7.54245040256749
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 75 y ${ynew}
+set             atom 75 y 5.69577145521838
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1845   -2.9871562   -2.5451196   -2.5423623 
+    1846   -2.9871562   -2.5451196   -2.5015613 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 75 x ${x0}
+set atom 75 x 7.54070384342442
+  1 settings made for x
+set atom $i y ${y0}
+set atom 75 y ${y0}
+set atom 75 y 5.62746680920321
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.65179794033003
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.75131498927041
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1846   -2.9871562   -2.5451196   -2.5015613 
+    1847   -2.9871562   -2.5451196   -2.4968246 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.15771750847207
+variable        y0 equal ${yi}
+variable        y0 equal 7.45649659958148
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.16723856369363
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.46657561388278
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1847   -2.9871562   -2.5451196   -2.4968246 
+    1848   -2.9871562   -2.5451196   -2.5443099 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.15771750847207
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.45649659958148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.19388546387063
+variable        y0 equal ${yi}
+variable        y0 equal 3.77270575328004
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.22711526790963
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.72155836386811
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1848   -2.9871562   -2.5451196   -2.5443099 
+    1849   -2.9871562   -2.5451196   -2.5275731 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 45 x ${x0}
+set atom 45 x 2.19388546387063
+  1 settings made for x
+set atom $i y ${y0}
+set atom 45 y ${y0}
+set atom 45 y 3.77270575328004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.54407576480333
+variable        y0 equal ${yi}
+variable        y0 equal 3.66106940074097
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.62414890685503
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.5805293159021
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1849   -2.9871562   -2.5451196   -2.5275731 
+    1850   -2.9871562   -2.5451196   -2.4935326 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 57 x ${x0}
+set atom 57 x 8.54407576480333
+  1 settings made for x
+set atom $i y ${y0}
+set atom 57 y ${y0}
+set atom 57 y 3.66106940074097
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.7265060384922
+variable        y0 equal ${yi}
+variable        y0 equal 1.84549867293901
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x 10.7464429696255
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 1.8231418528325
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1850   -2.9871562   -2.5451196   -2.4935326 
+    1851   -2.9871562   -2.5451196   -2.5427637 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 21 x ${x0}
+set atom 21 x 10.7265060384922
+  1 settings made for x
+set atom $i y ${y0}
+set atom 21 y ${y0}
+set atom 21 y 1.84549867293901
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80759401837473
+variable        y0 equal ${yi}
+variable        y0 equal 4.6440585290806
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.74327242890482
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.64463998431131
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1851   -2.9871562   -2.5451196   -2.5427637 
+    1852   -2.9871562   -2.5451196   -2.5351621 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 48 x ${x0}
+set atom 48 x 3.80759401837473
+  1 settings made for x
+set atom $i y ${y0}
+set atom 48 y ${y0}
+set atom 48 y 4.6440585290806
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.36129931608106
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y 0.0695984482765173
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1852   -2.9871562   -2.5451196   -2.5351621 
+    1853   -2.9871562   -2.5451196   -2.5272068 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.20556546488
+variable        y0 equal ${yi}
+variable        y0 equal 0.955296619642108
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.1259036664028
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 1.01249249767098
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1853   -2.9871562   -2.5451196   -2.5272068 
+    1854   -2.9871562   -2.5451196   -2.5379012 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 20 x ${x0}
+set atom 20 x 10.20556546488
+  1 settings made for x
+set atom $i y ${y0}
+set atom 20 y ${y0}
+set atom 20 y 0.955296619642108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 36
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.01815503238536
+variable        y0 equal ${yi}
+variable        y0 equal 2.72729808064798
+
+set             atom $i x ${xnew}
+set             atom 36 x ${xnew}
+set             atom 36 x 8.11479864715434
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 36 y ${ynew}
+set             atom 36 y 2.78606547089914
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1854   -2.9871562   -2.5451196   -2.5379012 
+    1855   -2.9871562   -2.5451196   -2.5214245 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 36 x ${x0}
+set atom 36 x 8.01815503238536
+  1 settings made for x
+set atom $i y ${y0}
+set atom 36 y ${y0}
+set atom 36 y 2.72729808064798
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.98599239308387
+variable        y0 equal ${yi}
+variable        y0 equal 0.925951715219346
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 8.99733357150108
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 0.847655673730699
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1855   -2.9871562   -2.5451196   -2.5214245 
+    1856   -2.9871562   -2.5451196   -2.5105113 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 18 x ${x0}
+set atom 18 x 8.98599239308387
+  1 settings made for x
+set atom $i y ${y0}
+set atom 18 y ${y0}
+set atom 18 y 0.925951715219346
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.98599239308387
+variable        y0 equal ${yi}
+variable        y0 equal 0.925951715219346
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 8.96855984646827
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 0.840420003640977
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1856   -2.9871562   -2.5451196   -2.5105113 
+    1857   -2.9871562   -2.5451196   -2.5152494 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 18 x ${x0}
+set atom 18 x 8.98599239308387
+  1 settings made for x
+set atom $i y ${y0}
+set atom 18 y ${y0}
+set atom 18 y 0.925951715219346
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.46753388483297
+variable        y0 equal ${yi}
+variable        y0 equal 0.0335806965827942
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.44376786787283
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y 0.0436333179473877
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1857   -2.9871562   -2.5451196   -2.5152494 
+    1858   -2.9871562   -2.5451196   -2.5446465 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 15 x ${x0}
+set atom 15 x 7.46753388483297
+  1 settings made for x
+set atom $i y ${y0}
+set atom 15 y ${y0}
+set atom 15 y 0.0335806965827942
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.570630665222075
+variable        y0 equal ${yi}
+variable        y0 equal 0.909747691858138
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.525174053111937
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.894475575197066
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1858   -2.9871562   -2.5451196   -2.5446465 
+    1859   -2.9871562   -2.5451196     -2.54894 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.54894002023
+variable naccept equal ${increment}
+variable naccept equal 392
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 87
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.20964491128483
+variable        y0 equal ${yi}
+variable        y0 equal 7.4096286090877
+
+set             atom $i x ${xnew}
+set             atom 87 x ${xnew}
+set             atom 87 x 3.12443485021153
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 87 y ${ynew}
+set             atom 87 y 7.3756039294269
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1859   -2.9871562     -2.54894     -2.54894 
+    1860   -2.9871562     -2.54894   -2.5076652 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 87 x ${x0}
+set atom 87 x 3.20964491128483
+  1 settings made for x
+set atom $i y ${y0}
+set atom 87 y ${y0}
+set atom 87 y 7.4096286090877
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 93
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.45546932934839
+variable        y0 equal ${yi}
+variable        y0 equal 7.46753717985414
+
+set             atom $i x ${xnew}
+set             atom 93 x ${xnew}
+set             atom 93 x 6.38405916213114
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 93 y ${ynew}
+set             atom 93 y 7.46646676388048
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1860   -2.9871562     -2.54894   -2.5076652 
+    1861   -2.9871562     -2.54894   -2.5448421 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 93 x ${x0}
+set atom 93 x 6.45546932934839
+  1 settings made for x
+set atom $i y ${y0}
+set atom 93 y ${y0}
+set atom 93 y 7.46753717985414
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 86
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.71264111001922
+variable        y0 equal ${yi}
+variable        y0 equal 8.37165092147884
+
+set             atom $i x ${xnew}
+set             atom 86 x ${xnew}
+set             atom 86 x 2.72805533607437
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 86 y ${ynew}
+set             atom 86 y 8.34013342775402
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1861   -2.9871562     -2.54894   -2.5448421 
+    1862   -2.9871562     -2.54894   -2.5451728 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 86 x ${x0}
+set atom 86 x 2.71264111001922
+  1 settings made for x
+set atom $i y ${y0}
+set atom 86 y ${y0}
+set atom 86 y 8.37165092147884
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.7265060384922
+variable        y0 equal ${yi}
+variable        y0 equal 1.84549867293901
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x 10.7174429615192
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 1.7909929790265
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1862   -2.9871562     -2.54894   -2.5451728 
+    1863   -2.9871562     -2.54894   -2.5369124 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 21 x ${x0}
+set atom 21 x 10.7265060384922
+  1 settings made for x
+set atom $i y ${y0}
+set atom 21 y ${y0}
+set atom 21 y 1.84549867293901
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31596373716261
+variable        y0 equal ${yi}
+variable        y0 equal 1.83819601914949
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.24277633825209
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 1.91336518905229
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1863   -2.9871562     -2.54894   -2.5369124 
+    1864   -2.9871562     -2.54894   -2.5312005 
+Loop time of 9.29832e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 31 x ${x0}
+set atom 31 x 5.31596373716261
+  1 settings made for x
+set atom $i y ${y0}
+set atom 31 y ${y0}
+set atom 31 y 1.83819601914949
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 95
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.50331240732442
+variable        y0 equal ${yi}
+variable        y0 equal 7.44483136263156
+
+set             atom $i x ${xnew}
+set             atom 95 x ${xnew}
+set             atom 95 x 7.40551712353002
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 95 y ${ynew}
+set             atom 95 y 7.42230179634357
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1864   -2.9871562     -2.54894   -2.5312005 
+    1865   -2.9871562     -2.54894   -2.5192547 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 95 x ${x0}
+set atom 95 x 7.50331240732442
+  1 settings made for x
+set atom $i y ${y0}
+set atom 95 y ${y0}
+set atom 95 y 7.44483136263156
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 33
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.35099447487909
+variable        y0 equal ${yi}
+variable        y0 equal 1.92307773015564
+
+set             atom $i x ${xnew}
+set             atom 33 x ${xnew}
+set             atom 33 x 6.30348613976556
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 33 y ${ynew}
+set             atom 33 y 1.88143332383698
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1865   -2.9871562     -2.54894   -2.5192547 
+    1866   -2.9871562     -2.54894   -2.5443607 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 33 x ${x0}
+set atom 33 x 6.35099447487909
+  1 settings made for x
+set atom $i y ${y0}
+set atom 33 y ${y0}
+set atom 33 y 1.92307773015564
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.19388546387063
+variable        y0 equal ${yi}
+variable        y0 equal 3.77270575328004
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.28340689579354
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.80234350724351
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1866   -2.9871562     -2.54894   -2.5443607 
+    1867   -2.9871562     -2.54894   -2.5181743 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 45 x ${x0}
+set atom 45 x 2.19388546387063
+  1 settings made for x
+set atom $i y ${y0}
+set atom 45 y ${y0}
+set atom 45 y 3.77270575328004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 100
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.131702781107
+variable        y0 equal ${yi}
+variable        y0 equal 8.31063791431484
+
+set             atom $i x ${xnew}
+set             atom 100 x ${xnew}
+set             atom 100 x 10.0944396618863
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 100 y ${ynew}
+set             atom 100 y 8.39338899768886
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1867   -2.9871562     -2.54894   -2.5181743 
+    1868   -2.9871562     -2.54894   -2.5439368 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 100 x ${x0}
+set atom 100 x 10.131702781107
+  1 settings made for x
+set atom $i y ${y0}
+set atom 100 y ${y0}
+set atom 100 y 8.31063791431484
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.35422850051785
+variable        y0 equal ${yi}
+variable        y0 equal 7.41203050937915
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.42542308965588
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.36853936043048
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1868   -2.9871562     -2.54894   -2.5439368 
+    1869   -2.9871562     -2.54894   -2.5465813 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 91 x ${x0}
+set atom 91 x 5.35422850051785
+  1 settings made for x
+set atom $i y ${y0}
+set atom 91 y ${y0}
+set atom 91 y 7.41203050937915
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.05432130693294
+variable        y0 equal ${yi}
+variable        y0 equal 8.31604041971262
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 7.98981396554805
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.31956210054453
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1869   -2.9871562     -2.54894   -2.5465813 
+    1870   -2.9871562     -2.54894   -2.5420951 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.05432130693294
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.31604041971262
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.35422850051785
+variable        y0 equal ${yi}
+variable        y0 equal 7.41203050937915
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.33617816368008
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.34661232557559
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1870   -2.9871562     -2.54894   -2.5420951 
+    1871   -2.9871562     -2.54894    -2.536532 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 91 x ${x0}
+set atom 91 x 5.35422850051785
+  1 settings made for x
+set atom $i y ${y0}
+set atom 91 y ${y0}
+set atom 91 y 7.41203050937915
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.23979663292276
+variable        y0 equal ${yi}
+variable        y0 equal 5.5713402385016
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.27425597349512
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.61283602659898
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1871   -2.9871562     -2.54894    -2.536532 
+    1872   -2.9871562     -2.54894   -2.5405839 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 65 x ${x0}
+set atom 65 x 2.23979663292276
+  1 settings made for x
+set atom $i y ${y0}
+set atom 65 y ${y0}
+set atom 65 y 5.5713402385016
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 35
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.37088978130592
+variable        y0 equal ${yi}
+variable        y0 equal 1.86757599494523
+
+set             atom $i x ${xnew}
+set             atom 35 x ${xnew}
+set             atom 35 x 7.33302517969383
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 35 y ${ynew}
+set             atom 35 y 1.81912293813294
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1872   -2.9871562     -2.54894   -2.5405839 
+    1873   -2.9871562     -2.54894    -2.527857 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 35 x ${x0}
+set atom 35 x 7.37088978130592
+  1 settings made for x
+set atom $i y ${y0}
+set atom 35 y ${y0}
+set atom 35 y 1.86757599494523
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1789412740728
+variable        y0 equal ${yi}
+variable        y0 equal 2.78276804658273
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.1894146088621
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.87145475121835
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1873   -2.9871562     -2.54894    -2.527857 
+    1874   -2.9871562     -2.54894   -2.5384058 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.1789412740728
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.78276804658273
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 82
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.44764589826193
+variable        y0 equal ${yi}
+variable        y0 equal 8.32563534893091
+
+set             atom $i x ${xnew}
+set             atom 82 x ${xnew}
+set             atom 82 x 0.350734897056486
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 82 y ${ynew}
+set             atom 82 y 8.37039880670602
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1874   -2.9871562     -2.54894   -2.5384058 
+    1875   -2.9871562     -2.54894   -2.5256326 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 82 x ${x0}
+set atom 82 x 0.44764589826193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 82 y ${y0}
+set atom 82 y 8.32563534893091
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 81
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0322040319442937
+variable        y0 equal ${yi}
+variable        y0 equal 7.38692112293505
+
+set             atom $i x ${xnew}
+set             atom 81 x ${xnew}
+set             atom 81 x -0.0167962193488887
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 81 y ${ynew}
+set             atom 81 y 7.37720476713442
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1875   -2.9871562     -2.54894   -2.5256326 
+    1876   -2.9871562     -2.54894   -2.5431866 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 81 x ${x0}
+set atom 81 x 0.0322040319442937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 81 y ${y0}
+set atom 81 y 7.38692112293505
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 19
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.49153032778379
+variable        y0 equal ${yi}
+variable        y0 equal 0.0782125592231747
+
+set             atom $i x ${xnew}
+set             atom 19 x ${xnew}
+set             atom 19 x 9.57771970509168
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 19 y ${ynew}
+set             atom 19 y 0.0528771042823788
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1876   -2.9871562     -2.54894   -2.5431866 
+    1877   -2.9871562     -2.54894   -2.5627757 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.56277566066053
+variable naccept equal ${increment}
+variable naccept equal 393
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.07584694067344
+variable        y0 equal ${yi}
+variable        y0 equal 0.00976005792616981
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 2.06598569790229
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y 0.0122786641120829
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1877   -2.9871562   -2.5627757   -2.5627757 
+    1878   -2.9871562   -2.5627757   -2.5616455 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 5 x ${x0}
+set atom 5 x 2.07584694067344
+  1 settings made for x
+set atom $i y ${y0}
+set atom 5 y ${y0}
+set atom 5 y 0.00976005792616981
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 99
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.7112571763861
+variable        y0 equal ${yi}
+variable        y0 equal 7.38156818475986
+
+set             atom $i x ${xnew}
+set             atom 99 x ${xnew}
+set             atom 99 x 9.74632789372085
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 99 y ${ynew}
+set             atom 99 y 7.33005817261005
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1878   -2.9871562   -2.5627757   -2.5616455 
+    1879   -2.9871562   -2.5627757   -2.5539806 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 99 x ${x0}
+set atom 99 x 9.7112571763861
+  1 settings made for x
+set atom $i y ${y0}
+set atom 99 y ${y0}
+set atom 99 y 7.38156818475986
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.6009168970563
+variable        y0 equal ${yi}
+variable        y0 equal 0.937610264528124
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.50452022433062
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 0.88129573653969
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1879   -2.9871562   -2.5627757   -2.5539806 
+    1880   -2.9871562   -2.5627757   -2.5482748 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 4 x ${x0}
+set atom 4 x 1.6009168970563
+  1 settings made for x
+set atom $i y ${y0}
+set atom 4 y ${y0}
+set atom 4 y 0.937610264528124
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.35422850051785
+variable        y0 equal ${yi}
+variable        y0 equal 7.41203050937915
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.35271943012143
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.31432999696994
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1880   -2.9871562   -2.5627757   -2.5482748 
+    1881   -2.9871562   -2.5627757   -2.5436951 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 91 x ${x0}
+set atom 91 x 5.35422850051785
+  1 settings made for x
+set atom $i y ${y0}
+set atom 91 y ${y0}
+set atom 91 y 7.41203050937915
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.6009168970563
+variable        y0 equal ${yi}
+variable        y0 equal 0.937610264528124
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.6707647073247
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 0.917089756238787
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1881   -2.9871562   -2.5627757   -2.5436951 
+    1882   -2.9871562   -2.5627757   -2.5497963 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 4 x ${x0}
+set atom 4 x 1.6009168970563
+  1 settings made for x
+set atom $i y ${y0}
+set atom 4 y ${y0}
+set atom 4 y 0.937610264528124
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.89080204048797
+variable        y0 equal ${yi}
+variable        y0 equal 0.962413962591011
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.99027600565597
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 0.916376157510597
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1882   -2.9871562   -2.5627757   -2.5497963 
+    1883   -2.9871562   -2.5627757   -2.5337047 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 14 x ${x0}
+set atom 14 x 6.89080204048797
+  1 settings made for x
+set atom $i y ${y0}
+set atom 14 y ${y0}
+set atom 14 y 0.962413962591011
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 8
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.72333437720424
+variable        y0 equal ${yi}
+variable        y0 equal 1.06102300475869
+
+set             atom $i x ${xnew}
+set             atom 8 x ${xnew}
+set             atom 8 x 3.72890197554714
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 8 y ${ynew}
+set             atom 8 y 1.0604893166903
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1883   -2.9871562   -2.5627757   -2.5337047 
+    1884   -2.9871562   -2.5627757   -2.5628604 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.56286039010838
+variable naccept equal ${increment}
+variable naccept equal 394
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.98550258834353
+variable        y0 equal ${yi}
+variable        y0 equal 6.47227353588572
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 5.93130503852358
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.44556225077143
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1884   -2.9871562   -2.5628604   -2.5628604 
+    1885   -2.9871562   -2.5628604   -2.5579394 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 72 x ${x0}
+set atom 72 x 5.98550258834353
+  1 settings made for x
+set atom $i y ${y0}
+set atom 72 y ${y0}
+set atom 72 y 6.47227353588572
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 94
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.99553199091598
+variable        y0 equal ${yi}
+variable        y0 equal 8.37164120592174
+
+set             atom $i x ${xnew}
+set             atom 94 x ${xnew}
+set             atom 94 x 6.95489427128479
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 94 y ${ynew}
+set             atom 94 y 8.36493048585949
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1885   -2.9871562   -2.5628604   -2.5579394 
+    1886   -2.9871562   -2.5628604   -2.5621739 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 94 x ${x0}
+set atom 94 x 6.99553199091598
+  1 settings made for x
+set atom $i y ${y0}
+set atom 94 y ${y0}
+set atom 94 y 8.37164120592174
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6911063273601
+variable        y0 equal ${yi}
+variable        y0 equal 5.45732250158982
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x 10.6663047512226
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.49085344021516
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1886   -2.9871562   -2.5628604   -2.5621739 
+    1887   -2.9871562   -2.5628604   -2.5621693 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 61 x ${x0}
+set atom 61 x 10.6911063273601
+  1 settings made for x
+set atom $i y ${y0}
+set atom 61 y ${y0}
+set atom 61 y 5.45732250158982
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.54554458140013
+variable        y0 equal ${yi}
+variable        y0 equal 3.70140816731585
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.51365242479918
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.70964928431643
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1887   -2.9871562   -2.5628604   -2.5621693 
+    1888   -2.9871562   -2.5628604    -2.552194 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 59 x ${x0}
+set atom 59 x 9.54554458140013
+  1 settings made for x
+set atom $i y ${y0}
+set atom 59 y ${y0}
+set atom 59 y 3.70140816731585
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.29705986181165
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y -0.030494892597201
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1888   -2.9871562   -2.5628604    -2.552194 
+    1889   -2.9871562   -2.5628604    -2.559113 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.525174053111937
+variable        y0 equal ${yi}
+variable        y0 equal 0.894475575197066
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.541543729701903
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.891679414022292
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1889   -2.9871562   -2.5628604    -2.559113 
+    1890   -2.9871562   -2.5628604   -2.5622539 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.525174053111937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 0.894475575197066
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.41745940843489
+variable        y0 equal ${yi}
+variable        y0 equal 5.54884942715364
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.46816363731291
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.53954304402071
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1890   -2.9871562   -2.5628604   -2.5622539 
+    1891   -2.9871562   -2.5628604   -2.5547772 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 71 x ${x0}
+set atom 71 x 5.41745940843489
+  1 settings made for x
+set atom $i y ${y0}
+set atom 71 y ${y0}
+set atom 71 y 5.54884942715364
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 35
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.37088978130592
+variable        y0 equal ${yi}
+variable        y0 equal 1.86757599494523
+
+set             atom $i x ${xnew}
+set             atom 35 x ${xnew}
+set             atom 35 x 7.41105691034568
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 35 y ${ynew}
+set             atom 35 y 1.86285059831208
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1891   -2.9871562   -2.5628604   -2.5547772 
+    1892   -2.9871562   -2.5628604   -2.5661791 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.5661790973644
+variable naccept equal ${increment}
+variable naccept equal 395
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.50235789218808
+variable        y0 equal ${yi}
+variable        y0 equal 3.73372400565278
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.46438482204343
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.66382379098069
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1892   -2.9871562   -2.5661791   -2.5661791 
+    1893   -2.9871562   -2.5661791   -2.5481911 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 51 x ${x0}
+set atom 51 x 5.50235789218808
+  1 settings made for x
+set atom $i y ${y0}
+set atom 51 y ${y0}
+set atom 51 y 3.73372400565278
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 41
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0431623816490095
+variable        y0 equal ${yi}
+variable        y0 equal 3.68648581071032
+
+set             atom $i x ${xnew}
+set             atom 41 x ${xnew}
+set             atom 41 x -0.0216213703155596
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 41 y ${ynew}
+set             atom 41 y 3.61173309846056
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1893   -2.9871562   -2.5661791   -2.5481911 
+    1894   -2.9871562   -2.5661791   -2.5580894 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 41 x ${x0}
+set atom 41 x 0.0431623816490095
+  1 settings made for x
+set atom $i y ${y0}
+set atom 41 y ${y0}
+set atom 41 y 3.68648581071032
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 19
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.57771970509168
+variable        y0 equal ${yi}
+variable        y0 equal 0.0528771042823788
+
+set             atom $i x ${xnew}
+set             atom 19 x ${xnew}
+set             atom 19 x 9.64354751585599
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 19 y ${ynew}
+set             atom 19 y 0.0546420574188229
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1894   -2.9871562   -2.5661791   -2.5580894 
+    1895   -2.9871562   -2.5661791   -2.5435745 
+Loop time of 7.79629e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 19 x ${x0}
+set atom 19 x 9.57771970509168
+  1 settings made for x
+set atom $i y ${y0}
+set atom 19 y ${y0}
+set atom 19 y 0.0528771042823788
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 75
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.54070384342442
+variable        y0 equal ${yi}
+variable        y0 equal 5.62746680920321
+
+set             atom $i x ${xnew}
+set             atom 75 x ${xnew}
+set             atom 75 x 7.62768572408925
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 75 y ${ynew}
+set             atom 75 y 5.53074058239657
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1895   -2.9871562   -2.5661791   -2.5435745 
+    1896   -2.9871562   -2.5661791   -2.5541642 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 75 x ${x0}
+set atom 75 x 7.54070384342442
+  1 settings made for x
+set atom $i y ${y0}
+set atom 75 y ${y0}
+set atom 75 y 5.62746680920321
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.19388546387063
+variable        y0 equal ${yi}
+variable        y0 equal 3.77270575328004
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.18215294519769
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.84221334023606
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1896   -2.9871562   -2.5661791   -2.5541642 
+    1897   -2.9871562   -2.5661791   -2.5591238 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 45 x ${x0}
+set atom 45 x 2.19388546387063
+  1 settings made for x
+set atom $i y ${y0}
+set atom 45 y ${y0}
+set atom 45 y 3.77270575328004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.20556546488
+variable        y0 equal ${yi}
+variable        y0 equal 0.955296619642108
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.288342559721
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 0.918077226388782
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1897   -2.9871562   -2.5661791   -2.5591238 
+    1898   -2.9871562   -2.5661791   -2.5393188 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 20 x ${x0}
+set atom 20 x 10.20556546488
+  1 settings made for x
+set atom $i y ${y0}
+set atom 20 y ${y0}
+set atom 20 y 0.955296619642108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.82160441517171
+variable        y0 equal ${yi}
+variable        y0 equal 8.38617150701579
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.74824603437718
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.31298493064937
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1898   -2.9871562   -2.5661791   -2.5393188 
+    1899   -2.9871562   -2.5661791   -2.5460848 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 90 x ${x0}
+set atom 90 x 4.82160441517171
+  1 settings made for x
+set atom $i y ${y0}
+set atom 90 y ${y0}
+set atom 90 y 8.38617150701579
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.98599239308387
+variable        y0 equal ${yi}
+variable        y0 equal 0.925951715219346
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 9.00971822459251
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 0.846294828164903
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1899   -2.9871562   -2.5661791   -2.5460848 
+    1900   -2.9871562   -2.5661791   -2.5625852 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 18 x ${x0}
+set atom 18 x 8.98599239308387
+  1 settings made for x
+set atom $i y ${y0}
+set atom 18 y ${y0}
+set atom 18 y 0.925951715219346
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 97
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.64328949609225
+variable        y0 equal ${yi}
+variable        y0 equal 7.40728055563236
+
+set             atom $i x ${xnew}
+set             atom 97 x ${xnew}
+set             atom 97 x 8.71289751687472
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 97 y ${ynew}
+set             atom 97 y 7.44543252315784
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1900   -2.9871562   -2.5661791   -2.5625852 
+    1901   -2.9871562   -2.5661791    -2.560836 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 97 x ${x0}
+set atom 97 x 8.64328949609225
+  1 settings made for x
+set atom $i y ${y0}
+set atom 97 y ${y0}
+set atom 97 y 7.40728055563236
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 95
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.50331240732442
+variable        y0 equal ${yi}
+variable        y0 equal 7.44483136263156
+
+set             atom $i x ${xnew}
+set             atom 95 x ${xnew}
+set             atom 95 x 7.49289957124959
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 95 y ${ynew}
+set             atom 95 y 7.4591614874866
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1901   -2.9871562   -2.5661791    -2.560836 
+    1902   -2.9871562   -2.5661791   -2.5633034 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 95 x ${x0}
+set atom 95 x 7.50331240732442
+  1 settings made for x
+set atom $i y ${y0}
+set atom 95 y ${y0}
+set atom 95 y 7.44483136263156
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 41
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0431623816490095
+variable        y0 equal ${yi}
+variable        y0 equal 3.68648581071032
+
+set             atom $i x ${xnew}
+set             atom 41 x ${xnew}
+set             atom 41 x -0.0418251872062761
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 41 y ${ynew}
+set             atom 41 y 3.65389419360293
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1902   -2.9871562   -2.5661791   -2.5633034 
+    1903   -2.9871562   -2.5661791   -2.5679192 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.56791916261878
+variable naccept equal ${increment}
+variable naccept equal 396
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.89080204048797
+variable        y0 equal ${yi}
+variable        y0 equal 0.962413962591011
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.81864675560638
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 0.874931784379799
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1903   -2.9871562   -2.5679192   -2.5679192 
+    1904   -2.9871562   -2.5679192   -2.5368125 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 14 x ${x0}
+set atom 14 x 6.89080204048797
+  1 settings made for x
+set atom $i y ${y0}
+set atom 14 y ${y0}
+set atom 14 y 0.962413962591011
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.50235789218808
+variable        y0 equal ${yi}
+variable        y0 equal 3.73372400565278
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.59361919561291
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.66725219054353
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1904   -2.9871562   -2.5679192   -2.5368125 
+    1905   -2.9871562   -2.5679192   -2.4502153 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 51 x ${x0}
+set atom 51 x 5.50235789218808
+  1 settings made for x
+set atom $i y ${y0}
+set atom 51 y ${y0}
+set atom 51 y 3.73372400565278
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 36
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.01815503238536
+variable        y0 equal ${yi}
+variable        y0 equal 2.72729808064798
+
+set             atom $i x ${xnew}
+set             atom 36 x ${xnew}
+set             atom 36 x 8.08840156196452
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 36 y ${ynew}
+set             atom 36 y 2.63483247729639
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1905   -2.9871562   -2.5679192   -2.4502153 
+    1906   -2.9871562   -2.5679192   -2.4943969 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 36 x ${x0}
+set atom 36 x 8.01815503238536
+  1 settings made for x
+set atom $i y ${y0}
+set atom 36 y ${y0}
+set atom 36 y 2.72729808064798
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.15771750847207
+variable        y0 equal ${yi}
+variable        y0 equal 7.45649659958148
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.24405559936868
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.4660461696651
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1906   -2.9871562   -2.5679192   -2.4943969 
+    1907   -2.9871562   -2.5679192   -2.5492677 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.15771750847207
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.45649659958148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.05432130693294
+variable        y0 equal ${yi}
+variable        y0 equal 8.31604041971262
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 7.97367545961238
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.40798517383631
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1907   -2.9871562   -2.5679192   -2.5492677 
+    1908   -2.9871562   -2.5679192   -2.5468876 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.05432130693294
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.31604041971262
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 76
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.12744101880885
+variable        y0 equal ${yi}
+variable        y0 equal 6.56631985441675
+
+set             atom $i x ${xnew}
+set             atom 76 x ${xnew}
+set             atom 76 x 8.10878357290126
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 76 y ${ynew}
+set             atom 76 y 6.51199351088037
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1908   -2.9871562   -2.5679192   -2.5468876 
+    1909   -2.9871562   -2.5679192   -2.5647445 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 76 x ${x0}
+set atom 76 x 8.12744101880885
+  1 settings made for x
+set atom $i y ${y0}
+set atom 76 y ${y0}
+set atom 76 y 6.56631985441675
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.46753388483297
+variable        y0 equal ${yi}
+variable        y0 equal 0.0335806965827942
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.47891548712026
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y 0.047444748878479
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1909   -2.9871562   -2.5679192   -2.5647445 
+    1910   -2.9871562   -2.5679192   -2.5650166 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 15 x ${x0}
+set atom 15 x 7.46753388483297
+  1 settings made for x
+set atom $i y ${y0}
+set atom 15 y ${y0}
+set atom 15 y 0.0335806965827942
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.95025718807079
+variable        y0 equal ${yi}
+variable        y0 equal 0.949378951299518
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 7.97175607084133
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 0.935547157037586
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1910   -2.9871562   -2.5679192   -2.5650166 
+    1911   -2.9871562   -2.5679192   -2.5672993 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 16 x ${x0}
+set atom 16 x 7.95025718807079
+  1 settings made for x
+set atom $i y ${y0}
+set atom 16 y ${y0}
+set atom 16 y 0.949378951299518
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 30
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.8951647126609
+variable        y0 equal ${yi}
+variable        y0 equal 2.85868977280953
+
+set             atom $i x ${xnew}
+set             atom 30 x ${xnew}
+set             atom 30 x 4.84459139942466
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 30 y ${ynew}
+set             atom 30 y 2.8530292389045
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1911   -2.9871562   -2.5679192   -2.5672993 
+    1912   -2.9871562   -2.5679192   -2.5673062 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.56730622725458
+variable naccept equal ${increment}
+variable naccept equal 397
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 62
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.654104717174436
+variable        y0 equal ${yi}
+variable        y0 equal 6.49111358658304
+
+set             atom $i x ${xnew}
+set             atom 62 x ${xnew}
+set             atom 62 x 0.669518621364499
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 62 y ${ynew}
+set             atom 62 y 6.40323361889353
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1912   -2.9871562   -2.5673062   -2.5673062 
+    1913   -2.9871562   -2.5673062   -2.5240055 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 62 x ${x0}
+set atom 62 x 0.654104717174436
+  1 settings made for x
+set atom $i y ${y0}
+set atom 62 y ${y0}
+set atom 62 y 6.49111358658304
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.11815181096249
+variable        y0 equal ${yi}
+variable        y0 equal 7.44427507248187
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.08228204568081
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.54054940071368
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1913   -2.9871562   -2.5673062   -2.5240055 
+    1914   -2.9871562   -2.5673062   -2.5524218 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.11815181096249
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.44427507248187
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.81670362273342
+variable        y0 equal ${yi}
+variable        y0 equal 2.85977786752084
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.88165532866604
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.87440716000894
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1914   -2.9871562   -2.5673062   -2.5524218 
+    1915   -2.9871562   -2.5673062   -2.5395487 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.81670362273342
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.85977786752084
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.31277988353635
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y -0.0868708610534693
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1915   -2.9871562   -2.5673062   -2.5395487 
+    1916   -2.9871562   -2.5673062   -2.5469212 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31596373716261
+variable        y0 equal ${yi}
+variable        y0 equal 1.83819601914949
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.32781621614363
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 1.81532698056764
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1916   -2.9871562   -2.5673062   -2.5469212 
+    1917   -2.9871562   -2.5673062   -2.5635756 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 31 x ${x0}
+set atom 31 x 5.31596373716261
+  1 settings made for x
+set atom $i y ${y0}
+set atom 31 y ${y0}
+set atom 31 y 1.83819601914949
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 35
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.41105691034568
+variable        y0 equal ${yi}
+variable        y0 equal 1.86285059831208
+
+set             atom $i x ${xnew}
+set             atom 35 x ${xnew}
+set             atom 35 x 7.3547941549517
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 35 y ${ynew}
+set             atom 35 y 1.95512600324219
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1917   -2.9871562   -2.5673062   -2.5635756 
+    1918   -2.9871562   -2.5673062   -2.5337048 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 35 x ${x0}
+set atom 35 x 7.41105691034568
+  1 settings made for x
+set atom $i y ${y0}
+set atom 35 y ${y0}
+set atom 35 y 1.86285059831208
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.89040735601722
+variable        y0 equal ${yi}
+variable        y0 equal 6.45623155371179
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.92328787683784
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.45926671759118
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1918   -2.9871562   -2.5673062   -2.5337048 
+    1919   -2.9871562   -2.5673062   -2.5649755 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 4.89040735601722
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.45623155371179
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.6009168970563
+variable        y0 equal ${yi}
+variable        y0 equal 0.937610264528124
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.63385331511279
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 0.891156693208544
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1919   -2.9871562   -2.5673062   -2.5649755 
+    1920   -2.9871562   -2.5673062   -2.5583131 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 4 x ${x0}
+set atom 4 x 1.6009168970563
+  1 settings made for x
+set atom $i y ${y0}
+set atom 4 y ${y0}
+set atom 4 y 0.937610264528124
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 56
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.10189970134594
+variable        y0 equal ${yi}
+variable        y0 equal 4.6733581578152
+
+set             atom $i x ${xnew}
+set             atom 56 x ${xnew}
+set             atom 56 x 8.10495061277249
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 56 y ${ynew}
+set             atom 56 y 4.66507560366557
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1920   -2.9871562   -2.5673062   -2.5583131 
+    1921   -2.9871562   -2.5673062   -2.5669957 
+Loop time of 4.60148e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.56699571724476
+variable naccept equal ${increment}
+variable naccept equal 398
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 97
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.64328949609225
+variable        y0 equal ${yi}
+variable        y0 equal 7.40728055563236
+
+set             atom $i x ${xnew}
+set             atom 97 x ${xnew}
+set             atom 97 x 8.6513254062218
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 97 y ${ynew}
+set             atom 97 y 7.36486255255008
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1921   -2.9871562   -2.5669957   -2.5669957 
+    1922   -2.9871562   -2.5669957   -2.5440096 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 97 x ${x0}
+set atom 97 x 8.64328949609225
+  1 settings made for x
+set atom $i y ${y0}
+set atom 97 y ${y0}
+set atom 97 y 7.40728055563236
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 39
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.50094277142164
+variable        y0 equal ${yi}
+variable        y0 equal 1.79520596644944
+
+set             atom $i x ${xnew}
+set             atom 39 x ${xnew}
+set             atom 39 x 9.40473785875913
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 39 y ${ynew}
+set             atom 39 y 1.75710432908601
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1922   -2.9871562   -2.5669957   -2.5440096 
+    1923   -2.9871562   -2.5669957    -2.503277 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 39 x ${x0}
+set atom 39 x 9.50094277142164
+  1 settings made for x
+set atom $i y ${y0}
+set atom 39 y ${y0}
+set atom 39 y 1.79520596644944
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 3
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.965262642700007
+variable        y0 equal ${yi}
+variable        y0 equal 9.22464752900928
+
+set             atom $i x ${xnew}
+set             atom 3 x ${xnew}
+set             atom 3 x 1.02897904236965
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 3 y ${ynew}
+set             atom 3 y 9.27259716499179
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1923   -2.9871562   -2.5669957    -2.503277 
+    1924   -2.9871562   -2.5669957   -2.5673255 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.5673255102621
+variable naccept equal ${increment}
+variable naccept equal 399
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.36591658988859
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y 0.00406470298766841
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1924   -2.9871562   -2.5673255   -2.5673255 
+    1925   -2.9871562   -2.5673255   -2.5640578 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 82
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.44764589826193
+variable        y0 equal ${yi}
+variable        y0 equal 8.32563534893091
+
+set             atom $i x ${xnew}
+set             atom 82 x ${xnew}
+set             atom 82 x 0.480583484569456
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 82 y ${ynew}
+set             atom 82 y 8.38369611419733
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1925   -2.9871562   -2.5673255   -2.5640578 
+    1926   -2.9871562   -2.5673255   -2.5709919 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.57099190645372
+variable naccept equal ${increment}
+variable naccept equal 400
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.19388546387063
+variable        y0 equal ${yi}
+variable        y0 equal 3.77270575328004
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.22575576940881
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.6768225745691
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1926   -2.9871562   -2.5709919   -2.5709919 
+    1927   -2.9871562   -2.5709919   -2.5266986 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 45 x ${x0}
+set atom 45 x 2.19388546387063
+  1 settings made for x
+set atom $i y ${y0}
+set atom 45 y ${y0}
+set atom 45 y 3.77270575328004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.26957070906373
+variable        y0 equal ${yi}
+variable        y0 equal 1.93462480685777
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.2810930617592
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 2.03351244113511
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1927   -2.9871562   -2.5709919   -2.5266986 
+    1928   -2.9871562   -2.5709919   -2.5380963 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.26957070906373
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.93462480685777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.15771750847207
+variable        y0 equal ${yi}
+variable        y0 equal 7.45649659958148
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.18122052589761
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.43532284822726
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1928   -2.9871562   -2.5709919   -2.5380963 
+    1929   -2.9871562   -2.5709919   -2.5716825 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.57168246219507
+variable naccept equal ${increment}
+variable naccept equal 401
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.39524874766083
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.49865702336032
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1929   -2.9871562   -2.5716825   -2.5716825 
+    1930   -2.9871562   -2.5716825   -2.5702136 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.05432130693294
+variable        y0 equal ${yi}
+variable        y0 equal 8.31604041971262
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.01978997587062
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.26049752153452
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1930   -2.9871562   -2.5716825   -2.5702136 
+    1931   -2.9871562   -2.5716825   -2.5587111 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.05432130693294
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.31604041971262
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.18122052589761
+variable        y0 equal ${yi}
+variable        y0 equal 7.43532284822726
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.23200811783181
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.44246533241534
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1931   -2.9871562   -2.5716825   -2.5587111 
+    1932   -2.9871562   -2.5716825   -2.5596842 
+Loop time of 7.41482e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.18122052589761
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.43532284822726
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.46753388483297
+variable        y0 equal ${yi}
+variable        y0 equal 0.0335806965827942
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.55640276510488
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y 0.00205355882644655
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1932   -2.9871562   -2.5716825   -2.5596842 
+    1933   -2.9871562   -2.5716825   -2.5433573 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 15 x ${x0}
+set atom 15 x 7.46753388483297
+  1 settings made for x
+set atom $i y ${y0}
+set atom 15 y ${y0}
+set atom 15 y 0.0335806965827942
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.525174053111937
+variable        y0 equal ${yi}
+variable        y0 equal 0.894475575197066
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.506680949130919
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.970807071435774
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1933   -2.9871562   -2.5716825   -2.5433573 
+    1934   -2.9871562   -2.5716825    -2.564062 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.525174053111937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 0.894475575197066
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.98549635687515
+variable        y0 equal ${yi}
+variable        y0 equal 2.82734158011773
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 6.90202143469497
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.90669712993005
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1934   -2.9871562   -2.5716825    -2.564062 
+    1935   -2.9871562   -2.5716825   -2.5287617 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 34 x ${x0}
+set atom 34 x 6.98549635687515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 34 y ${y0}
+set atom 34 y 2.82734158011773
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 82
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.480583484569456
+variable        y0 equal ${yi}
+variable        y0 equal 8.38369611419733
+
+set             atom $i x ${xnew}
+set             atom 82 x ${xnew}
+set             atom 82 x 0.503885825076963
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 82 y ${ynew}
+set             atom 82 y 8.43314369834955
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1935   -2.9871562   -2.5716825   -2.5287617 
+    1936   -2.9871562   -2.5716825   -2.5616535 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 82 x ${x0}
+set atom 82 x 0.480583484569456
+  1 settings made for x
+set atom $i y ${y0}
+set atom 82 y ${y0}
+set atom 82 y 8.38369611419733
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 81
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0322040319442937
+variable        y0 equal ${yi}
+variable        y0 equal 7.38692112293505
+
+set             atom $i x ${xnew}
+set             atom 81 x ${xnew}
+set             atom 81 x -0.0274049878120234
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 81 y ${ynew}
+set             atom 81 y 7.29749118414187
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1936   -2.9871562   -2.5716825   -2.5616535 
+    1937   -2.9871562   -2.5716825   -2.5264429 
+Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 81 x ${x0}
+set atom 81 x 0.0322040319442937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 81 y ${y0}
+set atom 81 y 7.38692112293505
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 56
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.10495061277249
+variable        y0 equal ${yi}
+variable        y0 equal 4.66507560366557
+
+set             atom $i x ${xnew}
+set             atom 56 x ${xnew}
+set             atom 56 x 8.14209563135006
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 56 y ${ynew}
+set             atom 56 y 4.70012417191432
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1937   -2.9871562   -2.5716825   -2.5264429 
+    1938   -2.9871562   -2.5716825   -2.5676018 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 56 x ${x0}
+set atom 56 x 8.10495061277249
+  1 settings made for x
+set atom $i y ${y0}
+set atom 56 y ${y0}
+set atom 56 y 4.66507560366557
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 81
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0322040319442937
+variable        y0 equal ${yi}
+variable        y0 equal 7.38692112293505
+
+set             atom $i x ${xnew}
+set             atom 81 x ${xnew}
+set             atom 81 x 0.128120005130787
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 81 y ${ynew}
+set             atom 81 y 7.43212372389101
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1938   -2.9871562   -2.5716825   -2.5676018 
+    1939   -2.9871562   -2.5716825   -2.5564958 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 81 x ${x0}
+set atom 81 x 0.0322040319442937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 81 y ${y0}
+set atom 81 y 7.38692112293505
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 10
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.77766234516441
+variable        y0 equal ${yi}
+variable        y0 equal 0.927607925641864
+
+set             atom $i x ${xnew}
+set             atom 10 x ${xnew}
+set             atom 10 x 4.76203931211769
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 10 y ${ynew}
+set             atom 10 y 0.970833106744617
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1939   -2.9871562   -2.5716825   -2.5564958 
+    1940   -2.9871562   -2.5716825   -2.5703087 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 10 x ${x0}
+set atom 10 x 4.77766234516441
+  1 settings made for x
+set atom $i y ${y0}
+set atom 10 y ${y0}
+set atom 10 y 0.927607925641864
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.545649071136379
+variable        y0 equal ${yi}
+variable        y0 equal 2.77431966039041
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.571522839465999
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.83693855973581
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1940   -2.9871562   -2.5716825   -2.5703087 
+    1941   -2.9871562   -2.5716825   -2.5669153 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.545649071136379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.77431966039041
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.3952472933075
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.53230874483783
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1941   -2.9871562   -2.5716825   -2.5669153 
+    1942   -2.9871562   -2.5716825   -2.5702776 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.20556546488
+variable        y0 equal ${yi}
+variable        y0 equal 0.955296619642108
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.2646945599575
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 0.905390079725116
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1942   -2.9871562   -2.5716825   -2.5702776 
+    1943   -2.9871562   -2.5716825   -2.5524716 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 20 x ${x0}
+set atom 20 x 10.20556546488
+  1 settings made for x
+set atom $i y ${y0}
+set atom 20 y ${y0}
+set atom 20 y 0.955296619642108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.05432130693294
+variable        y0 equal ${yi}
+variable        y0 equal 8.31604041971262
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.07140466569759
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.23510284341867
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1943   -2.9871562   -2.5716825   -2.5524716 
+    1944   -2.9871562   -2.5716825   -2.5548806 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.05432130693294
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.31604041971262
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 32
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.90086858232013
+variable        y0 equal ${yi}
+variable        y0 equal 2.85332814427712
+
+set             atom $i x ${xnew}
+set             atom 32 x ${xnew}
+set             atom 32 x 5.88503422696582
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 32 y ${ynew}
+set             atom 32 y 2.77079973193505
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1944   -2.9871562   -2.5716825   -2.5548806 
+    1945   -2.9871562   -2.5716825   -2.5717758 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.57177582849283
+variable naccept equal ${increment}
+variable naccept equal 402
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 12
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.84254707057468
+variable        y0 equal ${yi}
+variable        y0 equal 0.912364717233509
+
+set             atom $i x ${xnew}
+set             atom 12 x ${xnew}
+set             atom 12 x 5.75934883315555
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 12 y ${ynew}
+set             atom 12 y 0.881608935106129
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1945   -2.9871562   -2.5717758   -2.5717758 
+    1946   -2.9871562   -2.5717758   -2.5476389 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 12 x ${x0}
+set atom 12 x 5.84254707057468
+  1 settings made for x
+set atom $i y ${y0}
+set atom 12 y ${y0}
+set atom 12 y 0.912364717233509
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.69106418092681
+variable        y0 equal ${yi}
+variable        y0 equal 0.920749815214004
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.78762643535567
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 1.01181275438103
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1946   -2.9871562   -2.5717758   -2.5476389 
+    1947   -2.9871562   -2.5717758   -2.5354008 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 6 x ${x0}
+set atom 6 x 2.69106418092681
+  1 settings made for x
+set atom $i y ${y0}
+set atom 6 y ${y0}
+set atom 6 y 0.920749815214004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.7265060384922
+variable        y0 equal ${yi}
+variable        y0 equal 1.84549867293901
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x 10.7089661558323
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 1.93912223956651
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1947   -2.9871562   -2.5717758   -2.5354008 
+    1948   -2.9871562   -2.5717758   -2.5599544 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 21 x ${x0}
+set atom 21 x 10.7265060384922
+  1 settings made for x
+set atom $i y ${y0}
+set atom 21 y ${y0}
+set atom 21 y 1.84549867293901
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 50
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.95269535421668
+variable        y0 equal ${yi}
+variable        y0 equal 4.50253551358148
+
+set             atom $i x ${xnew}
+set             atom 50 x ${xnew}
+set             atom 50 x 4.92473058342277
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 50 y ${ynew}
+set             atom 50 y 4.49656813496515
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1948   -2.9871562   -2.5717758   -2.5599544 
+    1949   -2.9871562   -2.5717758   -2.5705608 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 50 x ${x0}
+set atom 50 x 4.95269535421668
+  1 settings made for x
+set atom $i y ${y0}
+set atom 50 y ${y0}
+set atom 50 y 4.50253551358148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 8
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.72890197554714
+variable        y0 equal ${yi}
+variable        y0 equal 1.0604893166903
+
+set             atom $i x ${xnew}
+set             atom 8 x ${xnew}
+set             atom 8 x 3.8005339316476
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 8 y ${ynew}
+set             atom 8 y 1.05922982286248
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1949   -2.9871562   -2.5717758   -2.5705608 
+    1950   -2.9871562   -2.5717758   -2.5570702 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 8 x ${x0}
+set atom 8 x 3.72890197554714
+  1 settings made for x
+set atom $i y ${y0}
+set atom 8 y ${y0}
+set atom 8 y 1.0604893166903
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.32252682526322
+variable        y0 equal ${yi}
+variable        y0 equal 7.38917808857226
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.37690175850602
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.31168086853289
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1950   -2.9871562   -2.5717758   -2.5570702 
+    1951   -2.9871562   -2.5717758   -2.5433949 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 89 x ${x0}
+set atom 89 x 4.32252682526322
+  1 settings made for x
+set atom $i y ${y0}
+set atom 89 y ${y0}
+set atom 89 y 7.38917808857226
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 84
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.63794375538607
+variable        y0 equal ${yi}
+variable        y0 equal 8.371298693791
+
+set             atom $i x ${xnew}
+set             atom 84 x ${xnew}
+set             atom 84 x 1.69653651594897
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 84 y ${ynew}
+set             atom 84 y 8.37436768926677
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1951   -2.9871562   -2.5717758   -2.5433949 
+    1952   -2.9871562   -2.5717758   -2.5617275 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 84 x ${x0}
+set atom 84 x 1.63794375538607
+  1 settings made for x
+set atom $i y ${y0}
+set atom 84 y ${y0}
+set atom 84 y 8.371298693791
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.98550258834353
+variable        y0 equal ${yi}
+variable        y0 equal 6.47227353588572
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 5.8856642122983
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.54508443609705
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1952   -2.9871562   -2.5717758   -2.5617275 
+    1953   -2.9871562   -2.5717758   -2.5560863 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 72 x ${x0}
+set atom 72 x 5.98550258834353
+  1 settings made for x
+set atom $i y ${y0}
+set atom 72 y ${y0}
+set atom 72 y 6.47227353588572
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.6911063273601
+variable        y0 equal ${yi}
+variable        y0 equal 5.45732250158982
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x 10.7543597300701
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.47490171139435
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1953   -2.9871562   -2.5717758   -2.5560863 
+    1954   -2.9871562   -2.5717758   -2.5722286 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.57222858969772
+variable naccept equal ${increment}
+variable naccept equal 403
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 74
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.04742242375061
+variable        y0 equal ${yi}
+variable        y0 equal 6.46128811375131
+
+set             atom $i x ${xnew}
+set             atom 74 x ${xnew}
+set             atom 74 x 7.07531779089615
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 74 y ${ynew}
+set             atom 74 y 6.45825262800683
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1954   -2.9871562   -2.5722286   -2.5722286 
+    1955   -2.9871562   -2.5722286   -2.5636125 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 74 x ${x0}
+set atom 74 x 7.04742242375061
+  1 settings made for x
+set atom $i y ${y0}
+set atom 74 y ${y0}
+set atom 74 y 6.46128811375131
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.23979663292276
+variable        y0 equal ${yi}
+variable        y0 equal 5.5713402385016
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.33372660318719
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.4993976349135
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1955   -2.9871562   -2.5722286   -2.5636125 
+    1956   -2.9871562   -2.5722286   -2.5097372 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 65 x ${x0}
+set atom 65 x 2.23979663292276
+  1 settings made for x
+set atom $i y ${y0}
+set atom 65 y ${y0}
+set atom 65 y 5.5713402385016
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.32252682526322
+variable        y0 equal ${yi}
+variable        y0 equal 7.38917808857226
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.36328680594178
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.33191160288119
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1956   -2.9871562   -2.5722286   -2.5097372 
+    1957   -2.9871562   -2.5722286   -2.5552272 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 89 x ${x0}
+set atom 89 x 4.32252682526322
+  1 settings made for x
+set atom $i y ${y0}
+set atom 89 y ${y0}
+set atom 89 y 7.38917808857226
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1789412740728
+variable        y0 equal ${yi}
+variable        y0 equal 2.78276804658273
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.1364771608373
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.68542534085611
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1957   -2.9871562   -2.5722286   -2.5552272 
+    1958   -2.9871562   -2.5722286   -2.5714792 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.1789412740728
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.78276804658273
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 66
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74727117021515
+variable        y0 equal ${yi}
+variable        y0 equal 6.50648560062877
+
+set             atom $i x ${xnew}
+set             atom 66 x ${xnew}
+set             atom 66 x 2.702415599422
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 66 y ${ynew}
+set             atom 66 y 6.48205155865184
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1958   -2.9871562   -2.5722286   -2.5714792 
+    1959   -2.9871562   -2.5722286   -2.5693085 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 66 x ${x0}
+set atom 66 x 2.74727117021515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 66 y ${y0}
+set atom 66 y 6.50648560062877
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.56329734165441
+variable        y0 equal ${yi}
+variable        y0 equal 3.72885418696535
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.52396155435811
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.76348131461275
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1959   -2.9871562   -2.5722286   -2.5693085 
+    1960   -2.9871562   -2.5722286   -2.5734614 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.57346135097827
+variable naccept equal ${increment}
+variable naccept equal 404
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 97
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.64328949609225
+variable        y0 equal ${yi}
+variable        y0 equal 7.40728055563236
+
+set             atom $i x ${xnew}
+set             atom 97 x ${xnew}
+set             atom 97 x 8.64263702788775
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 97 y ${ynew}
+set             atom 97 y 7.3287924083736
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1960   -2.9871562   -2.5734614   -2.5734614 
+    1961   -2.9871562   -2.5734614   -2.5123408 
+Loop time of 4.31538e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 97 x ${x0}
+set atom 97 x 8.64328949609225
+  1 settings made for x
+set atom $i y ${y0}
+set atom 97 y ${y0}
+set atom 97 y 7.40728055563236
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.16288858372719
+variable        y0 equal ${yi}
+variable        y0 equal 4.74496568793221
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 9.17456935364754
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.78264694565697
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1961   -2.9871562   -2.5734614   -2.5123408 
+    1962   -2.9871562   -2.5734614   -2.5648797 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 58 x ${x0}
+set atom 58 x 9.16288858372719
+  1 settings made for x
+set atom $i y ${y0}
+set atom 58 y ${y0}
+set atom 58 y 4.74496568793221
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.98549635687515
+variable        y0 equal ${yi}
+variable        y0 equal 2.82734158011773
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 6.91414935866043
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.81629132005074
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1962   -2.9871562   -2.5734614   -2.5648797 
+    1963   -2.9871562   -2.5734614   -2.5699886 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 34 x ${x0}
+set atom 34 x 6.98549635687515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 34 y ${y0}
+set atom 34 y 2.82734158011773
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 73
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.49922751902657
+variable        y0 equal ${yi}
+variable        y0 equal 5.52039463465411
+
+set             atom $i x ${xnew}
+set             atom 73 x ${xnew}
+set             atom 73 x 6.41148005246239
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 73 y ${ynew}
+set             atom 73 y 5.50233039801318
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1963   -2.9871562   -2.5734614   -2.5699886 
+    1964   -2.9871562   -2.5734614   -2.5484956 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 73 x ${x0}
+set atom 73 x 6.49922751902657
+  1 settings made for x
+set atom $i y ${y0}
+set atom 73 y ${y0}
+set atom 73 y 5.52039463465411
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 19
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.57771970509168
+variable        y0 equal ${yi}
+variable        y0 equal 0.0528771042823788
+
+set             atom $i x ${xnew}
+set             atom 19 x ${xnew}
+set             atom 19 x 9.48698404310819
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 19 y ${ynew}
+set             atom 19 y 0.150077152252197
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1964   -2.9871562   -2.5734614   -2.5484956 
+    1965   -2.9871562   -2.5734614   -2.5242166 
+Loop time of 0.0410678 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 19 x ${x0}
+set atom 19 x 9.57771970509168
+  1 settings made for x
+set atom $i y ${y0}
+set atom 19 y ${y0}
+set atom 19 y 0.0528771042823788
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 7
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.22492432355444
+variable        y0 equal ${yi}
+variable        y0 equal 0.0240613460540867
+
+set             atom $i x ${xnew}
+set             atom 7 x ${xnew}
+set             atom 7 x 3.30576154946844
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 7 y ${ynew}
+set             atom 7 y 0.00298287868500711
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1965   -2.9871562   -2.5734614   -2.5242166 
+    1966   -2.9871562   -2.5734614   -2.5439223 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 7 x ${x0}
+set atom 7 x 3.22492432355444
+  1 settings made for x
+set atom $i y ${y0}
+set atom 7 y ${y0}
+set atom 7 y 0.0240613460540867
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.54407576480333
+variable        y0 equal ${yi}
+variable        y0 equal 3.66106940074097
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.54984512486879
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.69442252679001
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1966   -2.9871562   -2.5734614   -2.5439223 
+    1967   -2.9871562   -2.5734614   -2.5740126 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.57401256121829
+variable naccept equal ${increment}
+variable naccept equal 405
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 94
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.99553199091598
+variable        y0 equal ${yi}
+variable        y0 equal 8.37164120592174
+
+set             atom $i x ${xnew}
+set             atom 94 x ${xnew}
+set             atom 94 x 7.00128597298309
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 94 y ${ynew}
+set             atom 94 y 8.32857953228054
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1967   -2.9871562   -2.5740126   -2.5740126 
+    1968   -2.9871562   -2.5740126   -2.5654678 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 94 x ${x0}
+set atom 94 x 6.99553199091598
+  1 settings made for x
+set atom $i y ${y0}
+set atom 94 y ${y0}
+set atom 94 y 8.37164120592174
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.82160441517171
+variable        y0 equal ${yi}
+variable        y0 equal 8.38617150701579
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.8860306107932
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.40910637296733
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1968   -2.9871562   -2.5740126   -2.5654678 
+    1969   -2.9871562   -2.5740126   -2.5580096 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 90 x ${x0}
+set atom 90 x 4.82160441517171
+  1 settings made for x
+set atom $i y ${y0}
+set atom 90 y ${y0}
+set atom 90 y 8.38617150701579
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.50235789218808
+variable        y0 equal ${yi}
+variable        y0 equal 3.73372400565278
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.45314650932217
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.76734987063538
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1969   -2.9871562   -2.5740126   -2.5580096 
+    1970   -2.9871562   -2.5740126   -2.5214694 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 51 x ${x0}
+set atom 51 x 5.50235789218808
+  1 settings made for x
+set atom $i y ${y0}
+set atom 51 y ${y0}
+set atom 51 y 3.73372400565278
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.95025718807079
+variable        y0 equal ${yi}
+variable        y0 equal 0.949378951299518
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 7.91901684402324
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 0.981152673471301
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1970   -2.9871562   -2.5740126   -2.5214694 
+    1971   -2.9871562   -2.5740126   -2.5665001 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 16 x ${x0}
+set atom 16 x 7.95025718807079
+  1 settings made for x
+set atom $i y ${y0}
+set atom 16 y ${y0}
+set atom 16 y 0.949378951299518
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 17
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.49737423816149
+variable        y0 equal ${yi}
+variable        y0 equal 9.2278668593201
+
+set             atom $i x ${xnew}
+set             atom 17 x ${xnew}
+set             atom 17 x 8.58549976506655
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 17 y ${ynew}
+set             atom 17 y 9.26701759803623
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1971   -2.9871562   -2.5740126   -2.5665001 
+    1972   -2.9871562   -2.5740126   -2.5692639 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 17 x ${x0}
+set atom 17 x 8.49737423816149
+  1 settings made for x
+set atom $i y ${y0}
+set atom 17 y ${y0}
+set atom 17 y 9.2278668593201
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.98599239308387
+variable        y0 equal ${yi}
+variable        y0 equal 0.925951715219346
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 9.06144708115608
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 0.840570982206193
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1972   -2.9871562   -2.5740126   -2.5692639 
+    1973   -2.9871562   -2.5740126   -2.5551058 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 18 x ${x0}
+set atom 18 x 8.98599239308387
+  1 settings made for x
+set atom $i y ${y0}
+set atom 18 y ${y0}
+set atom 18 y 0.925951715219346
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.98550258834353
+variable        y0 equal ${yi}
+variable        y0 equal 6.47227353588572
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 5.89399642903796
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.47747914329997
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1973   -2.9871562   -2.5740126   -2.5551058 
+    1974   -2.9871562   -2.5740126   -2.5639724 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 72 x ${x0}
+set atom 72 x 5.98550258834353
+  1 settings made for x
+set atom $i y ${y0}
+set atom 72 y ${y0}
+set atom 72 y 6.47227353588572
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.41745940843489
+variable        y0 equal ${yi}
+variable        y0 equal 5.54884942715364
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.32854479947951
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.62407112066942
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1974   -2.9871562   -2.5740126   -2.5639724 
+    1975   -2.9871562   -2.5740126   -2.5265061 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 71 x ${x0}
+set atom 71 x 5.41745940843489
+  1 settings made for x
+set atom $i y ${y0}
+set atom 71 y ${y0}
+set atom 71 y 5.54884942715364
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 8
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.72890197554714
+variable        y0 equal ${yi}
+variable        y0 equal 1.0604893166903
+
+set             atom $i x ${xnew}
+set             atom 8 x ${xnew}
+set             atom 8 x 3.65925550976879
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 8 y ${ynew}
+set             atom 8 y 1.0311502416018
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1975   -2.9871562   -2.5740126   -2.5265061 
+    1976   -2.9871562   -2.5740126   -2.5644108 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 8 x ${x0}
+set atom 8 x 3.72890197554714
+  1 settings made for x
+set atom $i y ${y0}
+set atom 8 y ${y0}
+set atom 8 y 1.0604893166903
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 19
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.57771970509168
+variable        y0 equal ${yi}
+variable        y0 equal 0.0528771042823788
+
+set             atom $i x ${xnew}
+set             atom 19 x ${xnew}
+set             atom 19 x 9.48586290358182
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 19 y ${ynew}
+set             atom 19 y 0.0104185700416561
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1976   -2.9871562   -2.5740126   -2.5644108 
+    1977   -2.9871562   -2.5740126    -2.562142 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 19 x ${x0}
+set atom 19 x 9.57771970509168
+  1 settings made for x
+set atom $i y ${y0}
+set atom 19 y ${y0}
+set atom 19 y 0.0528771042823788
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.98599239308387
+variable        y0 equal ${yi}
+variable        y0 equal 0.925951715219346
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 8.97836360652
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 0.831859238851396
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1977   -2.9871562   -2.5740126    -2.562142 
+    1978   -2.9871562   -2.5740126   -2.5679116 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 18 x ${x0}
+set atom 18 x 8.98599239308387
+  1 settings made for x
+set atom $i y ${y0}
+set atom 18 y ${y0}
+set atom 18 y 0.925951715219346
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.89080204048797
+variable        y0 equal ${yi}
+variable        y0 equal 0.962413962591011
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.88060106316253
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 0.960105260122139
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1978   -2.9871562   -2.5740126   -2.5679116 
+    1979   -2.9871562   -2.5740126   -2.5740354 
+Loop time of 4.98295e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.57403537505697
+variable naccept equal ${increment}
+variable naccept equal 406
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 78
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.15111655909569
+variable        y0 equal ${yi}
+variable        y0 equal 6.52915453449718
+
+set             atom $i x ${xnew}
+set             atom 78 x ${xnew}
+set             atom 78 x 9.09492871481926
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 78 y ${ynew}
+set             atom 78 y 6.61493354574672
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1979   -2.9871562   -2.5740354   -2.5740354 
+    1980   -2.9871562   -2.5740354   -2.5067112 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 78 x ${x0}
+set atom 78 x 9.15111655909569
+  1 settings made for x
+set atom $i y ${y0}
+set atom 78 y ${y0}
+set atom 78 y 6.52915453449718
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80759401837473
+variable        y0 equal ${yi}
+variable        y0 equal 4.6440585290806
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.72896017352228
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.62374215477869
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1980   -2.9871562   -2.5740354   -2.5067112 
+    1981   -2.9871562   -2.5740354   -2.5579831 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 48 x ${x0}
+set atom 48 x 3.80759401837473
+  1 settings made for x
+set atom $i y ${y0}
+set atom 48 y ${y0}
+set atom 48 y 4.6440585290806
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.95025718807079
+variable        y0 equal ${yi}
+variable        y0 equal 0.949378951299518
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 7.93462324737407
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 1.00154295753273
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1981   -2.9871562   -2.5740354   -2.5579831 
+    1982   -2.9871562   -2.5740354   -2.5575038 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 16 x ${x0}
+set atom 16 x 7.95025718807079
+  1 settings made for x
+set atom $i y ${y0}
+set atom 16 y ${y0}
+set atom 16 y 0.949378951299518
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.07584694067344
+variable        y0 equal ${yi}
+variable        y0 equal 0.00976005792616981
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 2.13902074734077
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y -0.0116058111190878
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1982   -2.9871562   -2.5740354   -2.5575038 
+    1983   -2.9871562   -2.5740354   -2.5790971 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.5790970789814
+variable naccept equal ${increment}
+variable naccept equal 407
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 94
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.99553199091598
+variable        y0 equal ${yi}
+variable        y0 equal 8.37164120592174
+
+set             atom $i x ${xnew}
+set             atom 94 x ${xnew}
+set             atom 94 x 7.05228224077865
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 94 y ${ynew}
+set             atom 94 y 8.28211905874309
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1983   -2.9871562   -2.5790971   -2.5790971 
+    1984   -2.9871562   -2.5790971   -2.5374293 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 94 x ${x0}
+set atom 94 x 6.99553199091598
+  1 settings made for x
+set atom $i y ${y0}
+set atom 94 y ${y0}
+set atom 94 y 8.37164120592174
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.82160441517171
+variable        y0 equal ${yi}
+variable        y0 equal 8.38617150701579
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.7241444194251
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.29084740795192
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1984   -2.9871562   -2.5790971   -2.5374293 
+    1985   -2.9871562   -2.5790971   -2.5380909 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 90 x ${x0}
+set atom 90 x 4.82160441517171
+  1 settings made for x
+set atom $i y ${y0}
+set atom 90 y ${y0}
+set atom 90 y 8.38617150701579
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 12
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.84254707057468
+variable        y0 equal ${yi}
+variable        y0 equal 0.912364717233509
+
+set             atom $i x ${xnew}
+set             atom 12 x ${xnew}
+set             atom 12 x 5.91439069468967
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 12 y ${ynew}
+set             atom 12 y 0.869653828847736
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1985   -2.9871562   -2.5790971   -2.5380909 
+    1986   -2.9871562   -2.5790971   -2.5558051 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 12 x ${x0}
+set atom 12 x 5.84254707057468
+  1 settings made for x
+set atom $i y ${y0}
+set atom 12 y ${y0}
+set atom 12 y 0.912364717233509
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.40156468867379
+variable        y0 equal ${yi}
+variable        y0 equal 0.00304889678955437
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.30236203192788
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y -0.0227411985397303
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1986   -2.9871562   -2.5790971   -2.5558051 
+    1987   -2.9871562   -2.5790971   -2.5601014 
+Loop time of 0.041254 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 13 x ${x0}
+set atom 13 x 6.40156468867379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 13 y ${y0}
+set atom 13 y 0.00304889678955437
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 73
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.49922751902657
+variable        y0 equal ${yi}
+variable        y0 equal 5.52039463465411
+
+set             atom $i x ${xnew}
+set             atom 73 x ${xnew}
+set             atom 73 x 6.59019989489632
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 73 y ${ynew}
+set             atom 73 y 5.50582431500155
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1987   -2.9871562   -2.5790971   -2.5601014 
+    1988   -2.9871562   -2.5790971   -2.5344695 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 73 x ${x0}
+set atom 73 x 6.49922751902657
+  1 settings made for x
+set atom $i y ${y0}
+set atom 73 y ${y0}
+set atom 73 y 5.52039463465411
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.24420675992527
+variable        y0 equal ${yi}
+variable        y0 equal 3.73567457957399
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.19798654078999
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.73931271596086
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1988   -2.9871562   -2.5790971   -2.5344695 
+    1989   -2.9871562   -2.5790971   -2.5708696 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 47 x ${x0}
+set atom 47 x 3.24420675992527
+  1 settings made for x
+set atom $i y ${y0}
+set atom 47 y ${y0}
+set atom 47 y 3.73567457957399
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.26957070906373
+variable        y0 equal ${yi}
+variable        y0 equal 1.93462480685777
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.35125572760316
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.88125099322862
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1989   -2.9871562   -2.5790971   -2.5708696 
+    1990   -2.9871562   -2.5790971   -2.5622573 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.26957070906373
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.93462480685777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 63
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.04039912541561
+variable        y0 equal ${yi}
+variable        y0 equal 5.56148483698564
+
+set             atom $i x ${xnew}
+set             atom 63 x ${xnew}
+set             atom 63 x 1.09178573210888
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 63 y ${ynew}
+set             atom 63 y 5.57776011173921
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1990   -2.9871562   -2.5790971   -2.5622573 
+    1991   -2.9871562   -2.5790971   -2.5819629 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.58196286473747
+variable naccept equal ${increment}
+variable naccept equal 408
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 17
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.49737423816149
+variable        y0 equal ${yi}
+variable        y0 equal 9.2278668593201
+
+set             atom $i x ${xnew}
+set             atom 17 x ${xnew}
+set             atom 17 x 8.45989461102907
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 17 y ${ynew}
+set             atom 17 y 9.16611603010028
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1991   -2.9871562   -2.5819629   -2.5819629 
+    1992   -2.9871562   -2.5819629   -2.5452409 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 17 x ${x0}
+set atom 17 x 8.49737423816149
+  1 settings made for x
+set atom $i y ${y0}
+set atom 17 y ${y0}
+set atom 17 y 9.2278668593201
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1789412740728
+variable        y0 equal ${yi}
+variable        y0 equal 2.78276804658273
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.1358978871366
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.84498817893365
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1992   -2.9871562   -2.5819629   -2.5452409 
+    1993   -2.9871562   -2.5819629    -2.568753 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.1789412740728
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.78276804658273
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.7265060384922
+variable        y0 equal ${yi}
+variable        y0 equal 1.84549867293901
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x 10.7038982113056
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 1.89456078193254
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1993   -2.9871562   -2.5819629    -2.568753 
+    1994   -2.9871562   -2.5819629   -2.5805362 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 21 x ${x0}
+set atom 21 x 10.7265060384922
+  1 settings made for x
+set atom $i y ${y0}
+set atom 21 y ${y0}
+set atom 21 y 1.84549867293901
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 38
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.09958864171057
+variable        y0 equal ${yi}
+variable        y0 equal 2.75573046180108
+
+set             atom $i x ${xnew}
+set             atom 38 x ${xnew}
+set             atom 38 x 9.01154702622443
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 38 y ${ynew}
+set             atom 38 y 2.77833372327187
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1994   -2.9871562   -2.5819629   -2.5805362 
+    1995   -2.9871562   -2.5819629   -2.5715742 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 38 x ${x0}
+set atom 38 x 9.09958864171057
+  1 settings made for x
+set atom $i y ${y0}
+set atom 38 y ${y0}
+set atom 38 y 2.75573046180108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 78
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.15111655909569
+variable        y0 equal ${yi}
+variable        y0 equal 6.52915453449718
+
+set             atom $i x ${xnew}
+set             atom 78 x ${xnew}
+set             atom 78 x 9.17207472044976
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 78 y ${ynew}
+set             atom 78 y 6.59541620747081
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1995   -2.9871562   -2.5819629   -2.5715742 
+    1996   -2.9871562   -2.5819629   -2.5603425 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 78 x ${x0}
+set atom 78 x 9.15111655909569
+  1 settings made for x
+set atom $i y ${y0}
+set atom 78 y ${y0}
+set atom 78 y 6.52915453449718
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 56
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.10495061277249
+variable        y0 equal ${yi}
+variable        y0 equal 4.66507560366557
+
+set             atom $i x ${xnew}
+set             atom 56 x ${xnew}
+set             atom 56 x 8.03687114118435
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 56 y ${ynew}
+set             atom 56 y 4.75526603812144
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1996   -2.9871562   -2.5819629   -2.5603425 
+    1997   -2.9871562   -2.5819629   -2.5708525 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 56 x ${x0}
+set atom 56 x 8.10495061277249
+  1 settings made for x
+set atom $i y ${y0}
+set atom 56 y ${y0}
+set atom 56 y 4.66507560366557
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 30
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.84459139942466
+variable        y0 equal ${yi}
+variable        y0 equal 2.8530292389045
+
+set             atom $i x ${xnew}
+set             atom 30 x ${xnew}
+set             atom 30 x 4.87783981203376
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 30 y ${ynew}
+set             atom 30 y 2.82051414224007
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1997   -2.9871562   -2.5819629   -2.5708525 
+    1998   -2.9871562   -2.5819629   -2.5859686 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.58596862967669
+variable naccept equal ${increment}
+variable naccept equal 409
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 19
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.57771970509168
+variable        y0 equal ${yi}
+variable        y0 equal 0.0528771042823788
+
+set             atom $i x ${xnew}
+set             atom 19 x ${xnew}
+set             atom 19 x 9.66661699293729
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 19 y ${ynew}
+set             atom 19 y 0.0606420755386349
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1998   -2.9871562   -2.5859686   -2.5859686 
+    1999   -2.9871562   -2.5859686   -2.5449026 
+Loop time of 7.79629e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 19 x ${x0}
+set atom 19 x 9.57771970509168
+  1 settings made for x
+set atom $i y ${y0}
+set atom 19 y ${y0}
+set atom 19 y 0.0528771042823788
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.98599239308387
+variable        y0 equal ${yi}
+variable        y0 equal 0.925951715219346
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 8.96866728980094
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 0.953124268758622
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    1999   -2.9871562   -2.5859686   -2.5449026 
+    2000   -2.9871562   -2.5859686   -2.5759732 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 18 x ${x0}
+set atom 18 x 8.98599239308387
+  1 settings made for x
+set atom $i y ${y0}
+set atom 18 y ${y0}
+set atom 18 y 0.925951715219346
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.46753388483297
+variable        y0 equal ${yi}
+variable        y0 equal 0.0335806965827942
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.41769959766637
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y -0.00113596916198729
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2000   -2.9871562   -2.5859686   -2.5759732 
+    2001   -2.9871562   -2.5859686   -2.5828968 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 15 x ${x0}
+set atom 15 x 7.46753388483297
+  1 settings made for x
+set atom $i y ${y0}
+set atom 15 y ${y0}
+set atom 15 y 0.0335806965827942
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 24
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59829139590045
+variable        y0 equal ${yi}
+variable        y0 equal 2.77385951253275
+
+set             atom $i x ${xnew}
+set             atom 24 x ${xnew}
+set             atom 24 x 1.68121445059558
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 24 y ${ynew}
+set             atom 24 y 2.71971592875818
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2001   -2.9871562   -2.5859686   -2.5828968 
+    2002   -2.9871562   -2.5859686   -2.5629621 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 24 x ${x0}
+set atom 24 x 1.59829139590045
+  1 settings made for x
+set atom $i y ${y0}
+set atom 24 y ${y0}
+set atom 24 y 2.77385951253275
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 49
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.37311956961365
+variable        y0 equal ${yi}
+variable        y0 equal 3.73546738190782
+
+set             atom $i x ${xnew}
+set             atom 49 x ${xnew}
+set             atom 49 x 4.28048653681488
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 49 y ${ynew}
+set             atom 49 y 3.69583767218721
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2002   -2.9871562   -2.5859686   -2.5629621 
+    2003   -2.9871562   -2.5859686   -2.5798144 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 49 x ${x0}
+set atom 49 x 4.37311956961365
+  1 settings made for x
+set atom $i y ${y0}
+set atom 49 y ${y0}
+set atom 49 y 3.73546738190782
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.58555344500963
+variable        y0 equal ${yi}
+variable        y0 equal 5.67622888033586
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.56329378047411
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.72029722874361
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2003   -2.9871562   -2.5859686   -2.5798144 
+    2004   -2.9871562   -2.5859686   -2.5611561 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 77 x ${x0}
+set atom 77 x 8.58555344500963
+  1 settings made for x
+set atom $i y ${y0}
+set atom 77 y ${y0}
+set atom 77 y 5.67622888033586
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.82160441517171
+variable        y0 equal ${yi}
+variable        y0 equal 8.38617150701579
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.85207965015706
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.33472195781764
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2004   -2.9871562   -2.5859686   -2.5611561 
+    2005   -2.9871562   -2.5859686   -2.5832376 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 90 x ${x0}
+set atom 90 x 4.82160441517171
+  1 settings made for x
+set atom $i y ${y0}
+set atom 90 y ${y0}
+set atom 90 y 8.38617150701579
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31596373716261
+variable        y0 equal ${yi}
+variable        y0 equal 1.83819601914949
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.33333326974775
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 1.89668469808168
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2005   -2.9871562   -2.5859686   -2.5832376 
+    2006   -2.9871562   -2.5859686   -2.5796914 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 31 x ${x0}
+set atom 31 x 5.31596373716261
+  1 settings made for x
+set atom $i y ${y0}
+set atom 31 y ${y0}
+set atom 31 y 1.83819601914949
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 43
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.15410325844937
+variable        y0 equal ${yi}
+variable        y0 equal 3.75003771348131
+
+set             atom $i x ${xnew}
+set             atom 43 x ${xnew}
+set             atom 43 x 1.11356125195676
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 43 y ${ynew}
+set             atom 43 y 3.71681254668367
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2006   -2.9871562   -2.5859686   -2.5796914 
+    2007   -2.9871562   -2.5859686   -2.5929069 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.59290685414525
+variable naccept equal ${increment}
+variable naccept equal 410
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 36
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.01815503238536
+variable        y0 equal ${yi}
+variable        y0 equal 2.72729808064798
+
+set             atom $i x ${xnew}
+set             atom 36 x ${xnew}
+set             atom 36 x 7.95727713703014
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 36 y ${ynew}
+set             atom 36 y 2.7323107120643
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2007   -2.9871562   -2.5929069   -2.5929069 
+    2008   -2.9871562   -2.5929069   -2.5814741 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 36 x ${x0}
+set atom 36 x 8.01815503238536
+  1 settings made for x
+set atom $i y ${y0}
+set atom 36 y ${y0}
+set atom 36 y 2.72729808064798
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.2670067469206
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y 0.0298995852470373
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2008   -2.9871562   -2.5929069   -2.5814741 
+    2009   -2.9871562   -2.5929069   -2.5853411 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.20556546488
+variable        y0 equal ${yi}
+variable        y0 equal 0.955296619642108
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.3055400494595
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 0.921045525777667
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2009   -2.9871562   -2.5929069   -2.5853411 
+    2010   -2.9871562   -2.5929069   -2.5566463 
+Loop time of 5.79357e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 20 x ${x0}
+set atom 20 x 10.20556546488
+  1 settings made for x
+set atom $i y ${y0}
+set atom 20 y ${y0}
+set atom 20 y 0.955296619642108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.98549635687515
+variable        y0 equal ${yi}
+variable        y0 equal 2.82734158011773
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 6.88832958021805
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.75932477685311
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2010   -2.9871562   -2.5929069   -2.5566463 
+    2011   -2.9871562   -2.5929069   -2.5763617 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 34 x ${x0}
+set atom 34 x 6.98549635687515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 34 y ${y0}
+set atom 34 y 2.82734158011773
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.22980598607923
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y 0.0642213702201818
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2011   -2.9871562   -2.5929069   -2.5763617 
+    2012   -2.9871562   -2.5929069   -2.5646869 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.23719702163602
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y 0.0140643119811987
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2012   -2.9871562   -2.5929069   -2.5646869 
+    2013   -2.9871562   -2.5929069   -2.5774313 
+Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.46753388483297
+variable        y0 equal ${yi}
+variable        y0 equal 0.0335806965827942
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.48090319473516
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y -0.0559932589530945
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2013   -2.9871562   -2.5929069   -2.5774313 
+    2014   -2.9871562   -2.5929069   -2.5862543 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 15 x ${x0}
+set atom 15 x 7.46753388483297
+  1 settings made for x
+set atom $i y ${y0}
+set atom 15 y ${y0}
+set atom 15 y 0.0335806965827942
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.16921079794274
+variable        y0 equal ${yi}
+variable        y0 equal 1.86157575032777
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.17772015968667
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.85502150437898
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2014   -2.9871562   -2.5929069   -2.5862543 
+    2015   -2.9871562   -2.5929069   -2.5915987 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.16921079794274
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.86157575032777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 87
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.20964491128483
+variable        y0 equal ${yi}
+variable        y0 equal 7.4096286090877
+
+set             atom $i x ${xnew}
+set             atom 87 x ${xnew}
+set             atom 87 x 3.19551454543629
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 87 y ${ynew}
+set             atom 87 y 7.48392205562853
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2015   -2.9871562   -2.5929069   -2.5915987 
+    2016   -2.9871562   -2.5929069   -2.5847651 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 87 x ${x0}
+set atom 87 x 3.20964491128483
+  1 settings made for x
+set atom $i y ${y0}
+set atom 87 y ${y0}
+set atom 87 y 7.4096286090877
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 39
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.50094277142164
+variable        y0 equal ${yi}
+variable        y0 equal 1.79520596644944
+
+set             atom $i x ${xnew}
+set             atom 39 x ${xnew}
+set             atom 39 x 9.59002644299146
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 39 y ${ynew}
+set             atom 39 y 1.88995120904511
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2016   -2.9871562   -2.5929069   -2.5847651 
+    2017   -2.9871562   -2.5929069   -2.5966258 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.59662578777986
+variable naccept equal ${increment}
+variable naccept equal 411
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.52396155435811
+variable        y0 equal ${yi}
+variable        y0 equal 3.76348131461275
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.49972879726659
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.72246214909685
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2017   -2.9871562   -2.5966258   -2.5966258 
+    2018   -2.9871562   -2.5966258   -2.5923702 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 55 x ${x0}
+set atom 55 x 7.52396155435811
+  1 settings made for x
+set atom $i y ${y0}
+set atom 55 y ${y0}
+set atom 55 y 3.76348131461275
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.24420675992527
+variable        y0 equal ${yi}
+variable        y0 equal 3.73567457957399
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.16994367599049
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.81792937083376
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2018   -2.9871562   -2.5966258   -2.5923702 
+    2019   -2.9871562   -2.5966258   -2.5612915 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 47 x ${x0}
+set atom 47 x 3.24420675992527
+  1 settings made for x
+set atom $i y ${y0}
+set atom 47 y ${y0}
+set atom 47 y 3.73567457957399
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.68984863638659
+variable        y0 equal ${yi}
+variable        y0 equal 6.46641751066677
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.65781292795916
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.5345910145425
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2019   -2.9871562   -2.5966258   -2.5612915 
+    2020   -2.9871562   -2.5966258   -2.5917647 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.68984863638659
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.46641751066677
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 23
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.07343188841992
+variable        y0 equal ${yi}
+variable        y0 equal 1.85961672446793
+
+set             atom $i x ${xnew}
+set             atom 23 x ${xnew}
+set             atom 23 x 1.14681148846799
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 23 y ${ynew}
+set             atom 23 y 1.93567071340149
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2020   -2.9871562   -2.5966258   -2.5917647 
+    2021   -2.9871562   -2.5966258   -2.5629957 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 23 x ${x0}
+set atom 23 x 1.07343188841992
+  1 settings made for x
+set atom $i y ${y0}
+set atom 23 y ${y0}
+set atom 23 y 1.85961672446793
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 9
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.24272296507568
+variable        y0 equal ${yi}
+variable        y0 equal 0.0256201386451842
+
+set             atom $i x ${xnew}
+set             atom 9 x ${xnew}
+set             atom 9 x 4.30640978892059
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 9 y ${ynew}
+set             atom 9 y 0.081650197505963
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2021   -2.9871562   -2.5966258   -2.5629957 
+    2022   -2.9871562   -2.5966258   -2.5771068 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 9 x ${x0}
+set atom 9 x 4.24272296507568
+  1 settings made for x
+set atom $i y ${y0}
+set atom 9 y ${y0}
+set atom 9 y 0.0256201386451842
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.88060106316253
+variable        y0 equal ${yi}
+variable        y0 equal 0.960105260122139
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.78152232447311
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 1.04020741771491
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2022   -2.9871562   -2.5966258   -2.5771068 
+    2023   -2.9871562   -2.5966258   -2.5538386 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 14 x ${x0}
+set atom 14 x 6.88060106316253
+  1 settings made for x
+set atom $i y ${y0}
+set atom 14 y ${y0}
+set atom 14 y 0.960105260122139
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.20556546488
+variable        y0 equal ${yi}
+variable        y0 equal 0.955296619642108
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.1995826128979
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 0.864627094972461
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2023   -2.9871562   -2.5966258   -2.5538386 
+    2024   -2.9871562   -2.5966258   -2.5778077 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 20 x ${x0}
+set atom 20 x 10.20556546488
+  1 settings made for x
+set atom $i y ${y0}
+set atom 20 y ${y0}
+set atom 20 y 0.955296619642108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 9
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.24272296507568
+variable        y0 equal ${yi}
+variable        y0 equal 0.0256201386451842
+
+set             atom $i x ${xnew}
+set             atom 9 x ${xnew}
+set             atom 9 x 4.15353182633133
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 9 y ${ynew}
+set             atom 9 y 0.0912428975105406
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2024   -2.9871562   -2.5966258   -2.5778077 
+    2025   -2.9871562   -2.5966258   -2.5579148 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 9 x ${x0}
+set atom 9 x 4.24272296507568
+  1 settings made for x
+set atom $i y ${y0}
+set atom 9 y ${y0}
+set atom 9 y 0.0256201386451842
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.23979663292276
+variable        y0 equal ${yi}
+variable        y0 equal 5.5713402385016
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.26144794861185
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.6698718542357
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2025   -2.9871562   -2.5966258   -2.5579148 
+    2026   -2.9871562   -2.5966258   -2.5673717 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 65 x ${x0}
+set atom 65 x 2.23979663292276
+  1 settings made for x
+set atom $i y ${y0}
+set atom 65 y ${y0}
+set atom 65 y 5.5713402385016
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.58555344500963
+variable        y0 equal ${yi}
+variable        y0 equal 5.67622888033586
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.56743538537447
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.72120881025987
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2026   -2.9871562   -2.5966258   -2.5673717 
+    2027   -2.9871562   -2.5966258   -2.5721286 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 77 x ${x0}
+set atom 77 x 8.58555344500963
+  1 settings made for x
+set atom $i y ${y0}
+set atom 77 y ${y0}
+set atom 77 y 5.67622888033586
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.545649071136379
+variable        y0 equal ${yi}
+variable        y0 equal 2.77431966039041
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.473578496375942
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.72084513875345
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2027   -2.9871562   -2.5966258   -2.5721286 
+    2028   -2.9871562   -2.5966258   -2.5866938 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.545649071136379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.77431966039041
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.7265060384922
+variable        y0 equal ${yi}
+variable        y0 equal 1.84549867293901
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x 10.7856441338711
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 1.79936591765947
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2028   -2.9871562   -2.5966258   -2.5866938 
+    2029   -2.9871562   -2.5966258   -2.5868526 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 21 x ${x0}
+set atom 21 x 10.7265060384922
+  1 settings made for x
+set atom $i y ${y0}
+set atom 21 y ${y0}
+set atom 21 y 1.84549867293901
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 86
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.71264111001922
+variable        y0 equal ${yi}
+variable        y0 equal 8.37165092147884
+
+set             atom $i x ${xnew}
+set             atom 86 x ${xnew}
+set             atom 86 x 2.66961978872253
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 86 y ${ynew}
+set             atom 86 y 8.44000028289852
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2029   -2.9871562   -2.5966258   -2.5868526 
+    2030   -2.9871562   -2.5966258   -2.5853489 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 86 x ${x0}
+set atom 86 x 2.71264111001922
+  1 settings made for x
+set atom $i y ${y0}
+set atom 86 y ${y0}
+set atom 86 y 8.37165092147884
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.76033777196836
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.77299931401178
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2030   -2.9871562   -2.5966258   -2.5853489 
+    2031   -2.9871562   -2.5966258   -2.5674374 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.41745940843489
+variable        y0 equal ${yi}
+variable        y0 equal 5.54884942715364
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.49992160001662
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.47192105000215
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2031   -2.9871562   -2.5966258   -2.5674374 
+    2032   -2.9871562   -2.5966258   -2.5373526 
+Loop time of 6.98566e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 71 x ${x0}
+set atom 71 x 5.41745940843489
+  1 settings made for x
+set atom $i y ${y0}
+set atom 71 y ${y0}
+set atom 71 y 5.54884942715364
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 84
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.63794375538607
+variable        y0 equal ${yi}
+variable        y0 equal 8.371298693791
+
+set             atom $i x ${xnew}
+set             atom 84 x ${xnew}
+set             atom 84 x 1.70515512108584
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 84 y ${ynew}
+set             atom 84 y 8.29120017208156
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2032   -2.9871562   -2.5966258   -2.5373526 
+    2033   -2.9871562   -2.5966258   -2.5718895 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 84 x ${x0}
+set atom 84 x 1.63794375538607
+  1 settings made for x
+set atom $i y ${y0}
+set atom 84 y ${y0}
+set atom 84 y 8.371298693791
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80759401837473
+variable        y0 equal ${yi}
+variable        y0 equal 4.6440585290806
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.88912189522867
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.63716442936823
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2033   -2.9871562   -2.5966258   -2.5718895 
+    2034   -2.9871562   -2.5966258   -2.5893858 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 48 x ${x0}
+set atom 48 x 3.80759401837473
+  1 settings made for x
+set atom $i y ${y0}
+set atom 48 y ${y0}
+set atom 48 y 4.6440585290806
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.19388546387063
+variable        y0 equal ${yi}
+variable        y0 equal 3.77270575328004
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.2513618771206
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.79912212653291
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2034   -2.9871562   -2.5966258   -2.5893858 
+    2035   -2.9871562   -2.5966258   -2.5807711 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 45 x ${x0}
+set atom 45 x 2.19388546387063
+  1 settings made for x
+set atom $i y ${y0}
+set atom 45 y ${y0}
+set atom 45 y 3.77270575328004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.68984863638659
+variable        y0 equal ${yi}
+variable        y0 equal 6.46641751066677
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.6807752120473
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.46438195244305
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2035   -2.9871562   -2.5966258   -2.5807711 
+    2036   -2.9871562   -2.5966258   -2.5960703 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.68984863638659
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.46641751066677
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 93
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.45546932934839
+variable        y0 equal ${yi}
+variable        y0 equal 7.46753717985414
+
+set             atom $i x ${xnew}
+set             atom 93 x ${xnew}
+set             atom 93 x 6.38152149437982
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 93 y ${ynew}
+set             atom 93 y 7.50004391994737
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2036   -2.9871562   -2.5966258   -2.5960703 
+    2037   -2.9871562   -2.5966258   -2.5870384 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 93 x ${x0}
+set atom 93 x 6.45546932934839
+  1 settings made for x
+set atom $i y ${y0}
+set atom 93 y ${y0}
+set atom 93 y 7.46753717985414
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.16288858372719
+variable        y0 equal ${yi}
+variable        y0 equal 4.74496568793221
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 9.20867232996971
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.65355754250451
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2037   -2.9871562   -2.5966258   -2.5870384 
+    2038   -2.9871562   -2.5966258   -2.5693931 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 58 x ${x0}
+set atom 58 x 9.16288858372719
+  1 settings made for x
+set atom $i y ${y0}
+set atom 58 y ${y0}
+set atom 58 y 4.74496568793221
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.54554458140013
+variable        y0 equal ${yi}
+variable        y0 equal 3.70140816731585
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.46615565298674
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.72983705563677
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2038   -2.9871562   -2.5966258   -2.5693931 
+    2039   -2.9871562   -2.5966258   -2.5488085 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 59 x ${x0}
+set atom 59 x 9.54554458140013
+  1 settings made for x
+set atom $i y ${y0}
+set atom 59 y ${y0}
+set atom 59 y 3.70140816731585
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 100
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.131702781107
+variable        y0 equal ${yi}
+variable        y0 equal 8.31063791431484
+
+set             atom $i x ${xnew}
+set             atom 100 x ${xnew}
+set             atom 100 x 10.2123769644757
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 100 y ${ynew}
+set             atom 100 y 8.36594400323925
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2039   -2.9871562   -2.5966258   -2.5488085 
+    2040   -2.9871562   -2.5966258   -2.5874357 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 100 x ${x0}
+set atom 100 x 10.131702781107
+  1 settings made for x
+set atom $i y ${y0}
+set atom 100 y ${y0}
+set atom 100 y 8.31063791431484
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 78
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.15111655909569
+variable        y0 equal ${yi}
+variable        y0 equal 6.52915453449718
+
+set             atom $i x ${xnew}
+set             atom 78 x ${xnew}
+set             atom 78 x 9.23970435578377
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 78 y ${ynew}
+set             atom 78 y 6.47020015255443
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2040   -2.9871562   -2.5966258   -2.5874357 
+    2041   -2.9871562   -2.5966258   -2.5626655 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 78 x ${x0}
+set atom 78 x 9.15111655909569
+  1 settings made for x
+set atom $i y ${y0}
+set atom 78 y ${y0}
+set atom 78 y 6.52915453449718
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.54554458140013
+variable        y0 equal ${yi}
+variable        y0 equal 3.70140816731585
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.46269917963621
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.79119102521075
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2041   -2.9871562   -2.5966258   -2.5626655 
+    2042   -2.9871562   -2.5966258   -2.5404003 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 59 x ${x0}
+set atom 59 x 9.54554458140013
+  1 settings made for x
+set atom $i y ${y0}
+set atom 59 y ${y0}
+set atom 59 y 3.70140816731585
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 39
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.59002644299146
+variable        y0 equal ${yi}
+variable        y0 equal 1.88995120904511
+
+set             atom $i x ${xnew}
+set             atom 39 x ${xnew}
+set             atom 39 x 9.66306260107633
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 39 y ${ynew}
+set             atom 39 y 1.91874177835053
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2042   -2.9871562   -2.5966258   -2.5404003 
+    2043   -2.9871562   -2.5966258   -2.5886537 
+Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 39 x ${x0}
+set atom 39 x 9.59002644299146
+  1 settings made for x
+set atom $i y ${y0}
+set atom 39 y ${y0}
+set atom 39 y 1.88995120904511
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.00866041183467914
+variable        y0 equal ${yi}
+variable        y0 equal 5.47490171139435
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x 0.0419932842254262
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.37745596115784
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2043   -2.9871562   -2.5966258   -2.5886537 
+    2044   -2.9871562   -2.5966258   -2.5332648 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 61 x ${x0}
+set atom 61 x 0.00866041183467914
+  1 settings made for x
+set atom $i y ${y0}
+set atom 61 y ${y0}
+set atom 61 y 5.47490171139435
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 23
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.07343188841992
+variable        y0 equal ${yi}
+variable        y0 equal 1.85961672446793
+
+set             atom $i x ${xnew}
+set             atom 23 x ${xnew}
+set             atom 23 x 1.13276222069913
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 23 y ${ynew}
+set             atom 23 y 1.89744723222321
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2044   -2.9871562   -2.5966258   -2.5332648 
+    2045   -2.9871562   -2.5966258   -2.5832797 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 23 x ${x0}
+set atom 23 x 1.07343188841992
+  1 settings made for x
+set atom $i y ${y0}
+set atom 23 y ${y0}
+set atom 23 y 1.85961672446793
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 66
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74727117021515
+variable        y0 equal ${yi}
+variable        y0 equal 6.50648560062877
+
+set             atom $i x ${xnew}
+set             atom 66 x ${xnew}
+set             atom 66 x 2.81185597379639
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 66 y ${ynew}
+set             atom 66 y 6.57987828985683
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2045   -2.9871562   -2.5966258   -2.5832797 
+    2046   -2.9871562   -2.5966258   -2.5453422 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 66 x ${x0}
+set atom 66 x 2.74727117021515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 66 y ${y0}
+set atom 66 y 6.50648560062877
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.05432130693294
+variable        y0 equal ${yi}
+variable        y0 equal 8.31604041971262
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.09393166898586
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.31682675994928
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2046   -2.9871562   -2.5966258   -2.5453422 
+    2047   -2.9871562   -2.5966258   -2.5891096 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.05432130693294
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.31604041971262
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 39
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.59002644299146
+variable        y0 equal ${yi}
+variable        y0 equal 1.88995120904511
+
+set             atom $i x ${xnew}
+set             atom 39 x ${xnew}
+set             atom 39 x 9.52363400934812
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 39 y ${ynew}
+set             atom 39 y 1.98875689885682
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2047   -2.9871562   -2.5966258   -2.5891096 
+    2048   -2.9871562   -2.5966258    -2.483854 
+Loop time of 7.70092e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 39 x ${x0}
+set atom 39 x 9.59002644299146
+  1 settings made for x
+set atom $i y ${y0}
+set atom 39 y ${y0}
+set atom 39 y 1.88995120904511
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.16288858372719
+variable        y0 equal ${yi}
+variable        y0 equal 4.74496568793221
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 9.08311106879265
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.71763598078652
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2048   -2.9871562   -2.5966258    -2.483854 
+    2049   -2.9871562   -2.5966258   -2.5958427 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 58 x ${x0}
+set atom 58 x 9.16288858372719
+  1 settings made for x
+set atom $i y ${y0}
+set atom 58 y ${y0}
+set atom 58 y 4.74496568793221
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 32
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.88503422696582
+variable        y0 equal ${yi}
+variable        y0 equal 2.77079973193505
+
+set             atom $i x ${xnew}
+set             atom 32 x ${xnew}
+set             atom 32 x 5.92159051854602
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 32 y ${ynew}
+set             atom 32 y 2.79073218079903
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2049   -2.9871562   -2.5966258   -2.5958427 
+    2050   -2.9871562   -2.5966258   -2.6010748 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.60107481551554
+variable naccept equal ${increment}
+variable naccept equal 412
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.16288858372719
+variable        y0 equal ${yi}
+variable        y0 equal 4.74496568793221
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 9.24232537467033
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.80962332838936
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2050   -2.9871562   -2.6010748   -2.6010748 
+    2051   -2.9871562   -2.6010748   -2.5408557 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 58 x ${x0}
+set atom 58 x 9.16288858372719
+  1 settings made for x
+set atom $i y ${y0}
+set atom 58 y ${y0}
+set atom 58 y 4.74496568793221
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59001860499163
+variable        y0 equal ${yi}
+variable        y0 equal 4.68076303357049
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.6725699889638
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.75511048191949
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2051   -2.9871562   -2.6010748   -2.5408557 
+    2052   -2.9871562   -2.6010748   -2.5857309 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 44 x ${x0}
+set atom 44 x 1.59001860499163
+  1 settings made for x
+set atom $i y ${y0}
+set atom 44 y ${y0}
+set atom 44 y 4.68076303357049
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 41
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.7038741310291
+variable        y0 equal ${yi}
+variable        y0 equal 3.65389419360293
+
+set             atom $i x ${xnew}
+set             atom 41 x ${xnew}
+set             atom 41 x 10.6068031986408
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 41 y ${ynew}
+set             atom 41 y 3.56834047598971
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2052   -2.9871562   -2.6010748   -2.5857309 
+    2053   -2.9871562   -2.6010748   -2.5200465 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 41 x ${x0}
+set atom 41 x 10.7038741310291
+  1 settings made for x
+set atom $i y ${y0}
+set atom 41 y ${y0}
+set atom 41 y 3.65389419360293
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.54554458140013
+variable        y0 equal ${yi}
+variable        y0 equal 3.70140816731585
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.4586048173773
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.62496209902895
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2053   -2.9871562   -2.6010748   -2.5200465 
+    2054   -2.9871562   -2.6010748   -2.5168975 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 59 x ${x0}
+set atom 59 x 9.54554458140013
+  1 settings made for x
+set atom $i y ${y0}
+set atom 59 y ${y0}
+set atom 59 y 3.70140816731585
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 81
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0322040319442937
+variable        y0 equal ${yi}
+variable        y0 equal 7.38692112293505
+
+set             atom $i x ${xnew}
+set             atom 81 x ${xnew}
+set             atom 81 x 0.107205700874347
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 81 y ${ynew}
+set             atom 81 y 7.33556828823351
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2054   -2.9871562   -2.6010748   -2.5168975 
+    2055   -2.9871562   -2.6010748   -2.5862253 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 81 x ${x0}
+set atom 81 x 0.0322040319442937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 81 y ${y0}
+set atom 81 y 7.38692112293505
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.40156468867379
+variable        y0 equal ${yi}
+variable        y0 equal 0.00304889678955437
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.33820057629662
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y 0.0819049954414404
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2055   -2.9871562   -2.6010748   -2.5862253 
+    2056   -2.9871562   -2.6010748   -2.5749069 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 13 x ${x0}
+set atom 13 x 6.40156468867379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 13 y ${y0}
+set atom 13 y 0.00304889678955437
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.00866041183467914
+variable        y0 equal ${yi}
+variable        y0 equal 5.47490171139435
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x 0.0324913382529836
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.50569564049439
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2056   -2.9871562   -2.6010748   -2.5749069 
+    2057   -2.9871562   -2.6010748   -2.6032979 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.6032979386677
+variable naccept equal ${increment}
+variable naccept equal 413
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.54554458140013
+variable        y0 equal ${yi}
+variable        y0 equal 3.70140816731585
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.45436392305968
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.67944634719027
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2057   -2.9871562   -2.6032979   -2.6032979 
+    2058   -2.9871562   -2.6032979   -2.5342494 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 59 x ${x0}
+set atom 59 x 9.54554458140013
+  1 settings made for x
+set atom $i y ${y0}
+set atom 59 y ${y0}
+set atom 59 y 3.70140816731585
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.35422850051785
+variable        y0 equal ${yi}
+variable        y0 equal 7.41203050937915
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.45397657552624
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.38276151743198
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2058   -2.9871562   -2.6032979   -2.5342494 
+    2059   -2.9871562   -2.6032979   -2.5964426 
+Loop time of 4.91142e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 91 x ${x0}
+set atom 91 x 5.35422850051785
+  1 settings made for x
+set atom $i y ${y0}
+set atom 91 y ${y0}
+set atom 91 y 7.41203050937915
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.24420675992527
+variable        y0 equal ${yi}
+variable        y0 equal 3.73567457957399
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.17291624307194
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.72036177678239
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2059   -2.9871562   -2.6032979   -2.5964426 
+    2060   -2.9871562   -2.6032979   -2.5839948 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 47 x ${x0}
+set atom 47 x 3.24420675992527
+  1 settings made for x
+set atom $i y ${y0}
+set atom 47 y ${y0}
+set atom 47 y 3.73567457957399
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.35422850051785
+variable        y0 equal ${yi}
+variable        y0 equal 7.41203050937915
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.26873528161908
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.44753073778415
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2060   -2.9871562   -2.6032979   -2.5839948 
+    2061   -2.9871562   -2.6032979   -2.5719577 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 91 x ${x0}
+set atom 91 x 5.35422850051785
+  1 settings made for x
+set atom $i y ${y0}
+set atom 91 y ${y0}
+set atom 91 y 7.41203050937915
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.7265060384922
+variable        y0 equal ${yi}
+variable        y0 equal 1.84549867293901
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x 10.7703439076595
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 1.77396916530199
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2061   -2.9871562   -2.6032979   -2.5719577 
+    2062   -2.9871562   -2.6032979   -2.5869885 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 21 x ${x0}
+set atom 21 x 10.7265060384922
+  1 settings made for x
+set atom $i y ${y0}
+set atom 21 y ${y0}
+set atom 21 y 1.84549867293901
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.54554458140013
+variable        y0 equal ${yi}
+variable        y0 equal 3.70140816731585
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.57288145302412
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.68945432467593
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2062   -2.9871562   -2.6032979   -2.5869885 
+    2063   -2.9871562   -2.6032979   -2.6084408 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.60844078200088
+variable naccept equal ${increment}
+variable naccept equal 414
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.69106418092681
+variable        y0 equal ${yi}
+variable        y0 equal 0.920749815214004
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.72328875263167
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 0.979590900647964
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2063   -2.9871562   -2.6084408   -2.6084408 
+    2064   -2.9871562   -2.6084408   -2.6036571 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 6 x ${x0}
+set atom 6 x 2.69106418092681
+  1 settings made for x
+set atom $i y ${y0}
+set atom 6 y ${y0}
+set atom 6 y 0.920749815214004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 99
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.7112571763861
+variable        y0 equal ${yi}
+variable        y0 equal 7.38156818475986
+
+set             atom $i x ${xnew}
+set             atom 99 x ${xnew}
+set             atom 99 x 9.73832246540664
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 99 y ${ynew}
+set             atom 99 y 7.29915854063297
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2064   -2.9871562   -2.6084408   -2.6036571 
+    2065   -2.9871562   -2.6084408    -2.587883 
+Loop time of 0.0412328 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 99 x ${x0}
+set atom 99 x 9.7112571763861
+  1 settings made for x
+set atom $i y ${y0}
+set atom 99 y ${y0}
+set atom 99 y 7.38156818475986
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.95025718807079
+variable        y0 equal ${yi}
+variable        y0 equal 0.949378951299518
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 7.99828483461239
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 0.954574580896228
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2065   -2.9871562   -2.6084408    -2.587883 
+    2066   -2.9871562   -2.6084408   -2.5948138 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 16 x ${x0}
+set atom 16 x 7.95025718807079
+  1 settings made for x
+set atom $i y ${y0}
+set atom 16 y ${y0}
+set atom 16 y 0.949378951299518
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.525174053111937
+variable        y0 equal ${yi}
+variable        y0 equal 0.894475575197066
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.621897263923552
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.950425739991988
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2066   -2.9871562   -2.6084408   -2.5948138 
+    2067   -2.9871562   -2.6084408   -2.5860345 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.525174053111937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 0.894475575197066
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 68
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80623258868343
+variable        y0 equal ${yi}
+variable        y0 equal 6.50073292986383
+
+set             atom $i x ${xnew}
+set             atom 68 x ${xnew}
+set             atom 68 x 3.78012387076503
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 68 y ${ynew}
+set             atom 68 y 6.5478436185502
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2067   -2.9871562   -2.6084408   -2.5860345 
+    2068   -2.9871562   -2.6084408    -2.601369 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 68 x ${x0}
+set atom 68 x 3.80623258868343
+  1 settings made for x
+set atom $i y ${y0}
+set atom 68 y ${y0}
+set atom 68 y 6.50073292986383
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 66
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74727117021515
+variable        y0 equal ${yi}
+variable        y0 equal 6.50648560062877
+
+set             atom $i x ${xnew}
+set             atom 66 x ${xnew}
+set             atom 66 x 2.84643100698425
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 66 y ${ynew}
+set             atom 66 y 6.50359961525432
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2068   -2.9871562   -2.6084408    -2.601369 
+    2069   -2.9871562   -2.6084408   -2.5729825 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 66 x ${x0}
+set atom 66 x 2.74727117021515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 66 y ${y0}
+set atom 66 y 6.50648560062877
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.18122052589761
+variable        y0 equal ${yi}
+variable        y0 equal 7.43532284822726
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.27029046455728
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.47268640127444
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2069   -2.9871562   -2.6084408   -2.5729825 
+    2070   -2.9871562   -2.6084408   -2.5710236 
+Loop time of 3.88622e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.18122052589761
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.43532284822726
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.68984863638659
+variable        y0 equal ${yi}
+variable        y0 equal 6.46641751066677
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.66294412493487
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.42871927753918
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2070   -2.9871562   -2.6084408   -2.5710236 
+    2071   -2.9871562   -2.6084408   -2.6002637 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.68984863638659
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.46641751066677
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.64853589733076
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.71910745257302
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2071   -2.9871562   -2.6084408   -2.6002637 
+    2072   -2.9871562   -2.6084408   -2.5814271 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.01011228838607
+variable        y0 equal ${yi}
+variable        y0 equal 4.6700352584736
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 6.99214203634902
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.57816175574228
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2072   -2.9871562   -2.6084408   -2.5814271 
+    2073   -2.9871562   -2.6084408   -2.5774107 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.01011228838607
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.6700352584736
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.68984863638659
+variable        y0 equal ${yi}
+variable        y0 equal 6.46641751066677
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.78940023064394
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.39243279234402
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2073   -2.9871562   -2.6084408   -2.5774107 
+    2074   -2.9871562   -2.6084408   -2.5546728 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.68984863638659
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.46641751066677
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.24420675992527
+variable        y0 equal ${yi}
+variable        y0 equal 3.73567457957399
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.25362108706989
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.8252430276407
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2074   -2.9871562   -2.6084408   -2.5546728 
+    2075   -2.9871562   -2.6084408   -2.5921458 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 47 x ${x0}
+set atom 47 x 3.24420675992527
+  1 settings made for x
+set atom $i y ${y0}
+set atom 47 y ${y0}
+set atom 47 y 3.73567457957399
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 19
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.57771970509168
+variable        y0 equal ${yi}
+variable        y0 equal 0.0528771042823788
+
+set             atom $i x ${xnew}
+set             atom 19 x ${xnew}
+set             atom 19 x 9.64655262707349
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 19 y ${ynew}
+set             atom 19 y -0.000400447845459333
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2075   -2.9871562   -2.6084408   -2.5921458 
+    2076   -2.9871562   -2.6084408   -2.5833323 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 19 x ${x0}
+set atom 19 x 9.57771970509168
+  1 settings made for x
+set atom $i y ${y0}
+set atom 19 y ${y0}
+set atom 19 y 0.0528771042823788
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 8
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.72890197554714
+variable        y0 equal ${yi}
+variable        y0 equal 1.0604893166903
+
+set             atom $i x ${xnew}
+set             atom 8 x ${xnew}
+set             atom 8 x 3.77722244778759
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 8 y ${ynew}
+set             atom 8 y 0.997667058217857
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2076   -2.9871562   -2.6084408   -2.5833323 
+    2077   -2.9871562   -2.6084408   -2.6077844 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 8 x ${x0}
+set atom 8 x 3.72890197554714
+  1 settings made for x
+set atom $i y ${y0}
+set atom 8 y ${y0}
+set atom 8 y 1.0604893166903
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.7265060384922
+variable        y0 equal ${yi}
+variable        y0 equal 1.84549867293901
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x 10.7424187858753
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 1.82795060060091
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2077   -2.9871562   -2.6084408   -2.6077844 
+    2078   -2.9871562   -2.6084408   -2.6067133 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 21 x ${x0}
+set atom 21 x 10.7265060384922
+  1 settings made for x
+set atom $i y ${y0}
+set atom 21 y ${y0}
+set atom 21 y 1.84549867293901
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.545649071136379
+variable        y0 equal ${yi}
+variable        y0 equal 2.77431966039041
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.576864202419185
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.69530526372293
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2078   -2.9871562   -2.6084408   -2.6067133 
+    2079   -2.9871562   -2.6084408   -2.5870455 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.545649071136379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.77431966039041
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 60
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.146871400263
+variable        y0 equal ${yi}
+variable        y0 equal 4.57325408810541
+
+set             atom $i x ${xnew}
+set             atom 60 x ${xnew}
+set             atom 60 x 10.2036228899023
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 60 y ${ynew}
+set             atom 60 y 4.57710585946008
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2079   -2.9871562   -2.6084408   -2.5870455 
+    2080   -2.9871562   -2.6084408   -2.6130804 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.61308039877739
+variable naccept equal ${increment}
+variable naccept equal 415
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.98549635687515
+variable        y0 equal ${yi}
+variable        y0 equal 2.82734158011773
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 7.0287161854808
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.76470638486245
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2080   -2.9871562   -2.6130804   -2.6130804 
+    2081   -2.9871562   -2.6130804   -2.5951708 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 34 x ${x0}
+set atom 34 x 6.98549635687515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 34 y ${y0}
+set atom 34 y 2.82734158011773
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31596373716261
+variable        y0 equal ${yi}
+variable        y0 equal 1.83819601914949
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.33779021898176
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 1.8717039742238
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2081   -2.9871562   -2.6130804   -2.5951708 
+    2082   -2.9871562   -2.6130804   -2.6116893 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 31 x ${x0}
+set atom 31 x 5.31596373716261
+  1 settings made for x
+set atom $i y ${y0}
+set atom 31 y ${y0}
+set atom 31 y 1.83819601914949
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80759401837473
+variable        y0 equal ${yi}
+variable        y0 equal 4.6440585290806
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.83569373408442
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.62202629202768
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2082   -2.9871562   -2.6130804   -2.6116893 
+    2083   -2.9871562   -2.6130804   -2.6124389 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 48 x ${x0}
+set atom 48 x 3.80759401837473
+  1 settings made for x
+set atom $i y ${y0}
+set atom 48 y ${y0}
+set atom 48 y 4.6440585290806
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59001860499163
+variable        y0 equal ${yi}
+variable        y0 equal 4.68076303357049
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.61240752815981
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.72244731539651
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2083   -2.9871562   -2.6130804   -2.6124389 
+    2084   -2.9871562   -2.6130804   -2.6083766 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 44 x ${x0}
+set atom 44 x 1.59001860499163
+  1 settings made for x
+set atom $i y ${y0}
+set atom 44 y ${y0}
+set atom 44 y 4.68076303357049
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.40156468867379
+variable        y0 equal ${yi}
+variable        y0 equal 0.00304889678955437
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.4566431474598
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y 0.0326084017753637
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2084   -2.9871562   -2.6130804   -2.6083766 
+    2085   -2.9871562   -2.6130804   -2.6030583 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 13 x ${x0}
+set atom 13 x 6.40156468867379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 13 y ${y0}
+set atom 13 y 0.00304889678955437
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 93
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.45546932934839
+variable        y0 equal ${yi}
+variable        y0 equal 7.46753717985414
+
+set             atom $i x ${xnew}
+set             atom 93 x ${xnew}
+set             atom 93 x 6.51859577416498
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 93 y ${ynew}
+set             atom 93 y 7.43633932199739
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2085   -2.9871562   -2.6130804   -2.6030583 
+    2086   -2.9871562   -2.6130804   -2.6022751 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 93 x ${x0}
+set atom 93 x 6.45546932934839
+  1 settings made for x
+set atom $i y ${y0}
+set atom 93 y ${y0}
+set atom 93 y 7.46753717985414
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 17
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.49737423816149
+variable        y0 equal ${yi}
+variable        y0 equal 9.2278668593201
+
+set             atom $i x ${xnew}
+set             atom 17 x ${xnew}
+set             atom 17 x 8.45666847386782
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 17 y ${ynew}
+set             atom 17 y 9.24673350560993
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2086   -2.9871562   -2.6130804   -2.6022751 
+    2087   -2.9871562   -2.6130804   -2.6086231 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 17 x ${x0}
+set atom 17 x 8.49737423816149
+  1 settings made for x
+set atom $i y ${y0}
+set atom 17 y ${y0}
+set atom 17 y 9.2278668593201
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.545649071136379
+variable        y0 equal ${yi}
+variable        y0 equal 2.77431966039041
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.645550711551571
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.68618227216104
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2087   -2.9871562   -2.6130804   -2.6086231 
+    2088   -2.9871562   -2.6130804   -2.5477924 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.545649071136379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.77431966039041
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 79
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.66362923859236
+variable        y0 equal ${yi}
+variable        y0 equal 5.65359488671022
+
+set             atom $i x ${xnew}
+set             atom 79 x ${xnew}
+set             atom 79 x 9.61460631369231
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 79 y ${ynew}
+set             atom 79 y 5.69201638643938
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2088   -2.9871562   -2.6130804   -2.5477924 
+    2089   -2.9871562   -2.6130804   -2.5900462 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 79 x ${x0}
+set atom 79 x 9.66362923859236
+  1 settings made for x
+set atom $i y ${y0}
+set atom 79 y ${y0}
+set atom 79 y 5.65359488671022
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 79
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.66362923859236
+variable        y0 equal ${yi}
+variable        y0 equal 5.65359488671022
+
+set             atom $i x ${xnew}
+set             atom 79 x ${xnew}
+set             atom 79 x 9.56851518629668
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 79 y ${ynew}
+set             atom 79 y 5.71247581188875
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2089   -2.9871562   -2.6130804   -2.5900462 
+    2090   -2.9871562   -2.6130804   -2.5503953 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 79 x ${x0}
+set atom 79 x 9.66362923859236
+  1 settings made for x
+set atom $i y ${y0}
+set atom 79 y ${y0}
+set atom 79 y 5.65359488671022
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 100
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.131702781107
+variable        y0 equal ${yi}
+variable        y0 equal 8.31063791431484
+
+set             atom $i x ${xnew}
+set             atom 100 x ${xnew}
+set             atom 100 x 10.114931083109
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 100 y ${ynew}
+set             atom 100 y 8.29968972124157
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2090   -2.9871562   -2.6130804   -2.5503953 
+    2091   -2.9871562   -2.6130804   -2.6085574 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 100 x ${x0}
+set atom 100 x 10.131702781107
+  1 settings made for x
+set atom $i y ${y0}
+set atom 100 y ${y0}
+set atom 100 y 8.31063791431484
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 49
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.37311956961365
+variable        y0 equal ${yi}
+variable        y0 equal 3.73546738190782
+
+set             atom $i x ${xnew}
+set             atom 49 x ${xnew}
+set             atom 49 x 4.46470931847306
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 49 y ${ynew}
+set             atom 49 y 3.82888581318986
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2091   -2.9871562   -2.6130804   -2.6085574 
+    2092   -2.9871562   -2.6130804   -2.3827011 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 49 x ${x0}
+set atom 49 x 4.37311956961365
+  1 settings made for x
+set atom $i y ${y0}
+set atom 49 y ${y0}
+set atom 49 y 3.73546738190782
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 17
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.49737423816149
+variable        y0 equal ${yi}
+variable        y0 equal 9.2278668593201
+
+set             atom $i x ${xnew}
+set             atom 17 x ${xnew}
+set             atom 17 x 8.40813176789706
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 17 y ${ynew}
+set             atom 17 y 9.24877109039157
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2092   -2.9871562   -2.6130804   -2.3827011 
+    2093   -2.9871562   -2.6130804   -2.5841332 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 17 x ${x0}
+set atom 17 x 8.49737423816149
+  1 settings made for x
+set atom $i y ${y0}
+set atom 17 y ${y0}
+set atom 17 y 9.2278668593201
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 38
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.09958864171057
+variable        y0 equal ${yi}
+variable        y0 equal 2.75573046180108
+
+set             atom $i x ${xnew}
+set             atom 38 x ${xnew}
+set             atom 38 x 9.17355055529623
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 38 y ${ynew}
+set             atom 38 y 2.77106637927392
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2093   -2.9871562   -2.6130804   -2.5841332 
+    2094   -2.9871562   -2.6130804   -2.5914282 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 38 x ${x0}
+set atom 38 x 9.09958864171057
+  1 settings made for x
+set atom $i y ${y0}
+set atom 38 y ${y0}
+set atom 38 y 2.75573046180108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 12
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.84254707057468
+variable        y0 equal ${yi}
+variable        y0 equal 0.912364717233509
+
+set             atom $i x ${xnew}
+set             atom 12 x ${xnew}
+set             atom 12 x 5.80643229444019
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 12 y ${ynew}
+set             atom 12 y 0.955311151254505
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2094   -2.9871562   -2.6130804   -2.5914282 
+    2095   -2.9871562   -2.6130804   -2.6084448 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 12 x ${x0}
+set atom 12 x 5.84254707057468
+  1 settings made for x
+set atom $i y ${y0}
+set atom 12 y ${y0}
+set atom 12 y 0.912364717233509
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59001860499163
+variable        y0 equal ${yi}
+variable        y0 equal 4.68076303357049
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.55930349707384
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.71263198012277
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2095   -2.9871562   -2.6130804   -2.6084448 
+    2096   -2.9871562   -2.6130804   -2.6028301 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 44 x ${x0}
+set atom 44 x 1.59001860499163
+  1 settings made for x
+set atom $i y ${y0}
+set atom 44 y ${y0}
+set atom 44 y 4.68076303357049
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.78193971434718
+variable        y0 equal ${yi}
+variable        y0 equal 8.31736352361736
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.80529048958903
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.27772569574413
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2096   -2.9871562   -2.6130804   -2.6028301 
+    2097   -2.9871562   -2.6130804   -2.6054953 
+Loop time of 3.88622e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.78193971434718
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.31736352361736
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.23979663292276
+variable        y0 equal ${yi}
+variable        y0 equal 5.5713402385016
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.30257943312036
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.56356129591661
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2097   -2.9871562   -2.6130804   -2.6054953 
+    2098   -2.9871562   -2.6130804   -2.5985934 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 65 x ${x0}
+set atom 65 x 2.23979663292276
+  1 settings made for x
+set atom $i y ${y0}
+set atom 65 y ${y0}
+set atom 65 y 5.5713402385016
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 12
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.84254707057468
+variable        y0 equal ${yi}
+variable        y0 equal 0.912364717233509
+
+set             atom $i x ${xnew}
+set             atom 12 x ${xnew}
+set             atom 12 x 5.94123060662738
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 12 y ${ynew}
+set             atom 12 y 0.956614466417164
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2098   -2.9871562   -2.6130804   -2.5985934 
+    2099   -2.9871562   -2.6130804   -2.5813746 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 12 x ${x0}
+set atom 12 x 5.84254707057468
+  1 settings made for x
+set atom $i y ${y0}
+set atom 12 y ${y0}
+set atom 12 y 0.912364717233509
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 41
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.7038741310291
+variable        y0 equal ${yi}
+variable        y0 equal 3.65389419360293
+
+set             atom $i x ${xnew}
+set             atom 41 x ${xnew}
+set             atom 41 x 10.633286305254
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 41 y ${ynew}
+set             atom 41 y 3.69973904652728
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2099   -2.9871562   -2.6130804   -2.5813746 
+    2100   -2.9871562   -2.6130804   -2.5984025 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 41 x ${x0}
+set atom 41 x 10.7038741310291
+  1 settings made for x
+set atom $i y ${y0}
+set atom 41 y ${y0}
+set atom 41 y 3.65389419360293
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 63
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.09178573210888
+variable        y0 equal ${yi}
+variable        y0 equal 5.57776011173921
+
+set             atom $i x ${xnew}
+set             atom 63 x ${xnew}
+set             atom 63 x 0.994692245322991
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 63 y ${ynew}
+set             atom 63 y 5.54654970114427
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2100   -2.9871562   -2.6130804   -2.5984025 
+    2101   -2.9871562   -2.6130804   -2.5912665 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 63 x ${x0}
+set atom 63 x 1.09178573210888
+  1 settings made for x
+set atom $i y ${y0}
+set atom 63 y ${y0}
+set atom 63 y 5.57776011173921
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.82160441517171
+variable        y0 equal ${yi}
+variable        y0 equal 8.38617150701579
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.85650510429677
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.3835609785467
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2101   -2.9871562   -2.6130804   -2.5912665 
+    2102   -2.9871562   -2.6130804   -2.6095238 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 90 x ${x0}
+set atom 90 x 4.82160441517171
+  1 settings made for x
+set atom $i y ${y0}
+set atom 90 y ${y0}
+set atom 90 y 8.38617150701579
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 87
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.20964491128483
+variable        y0 equal ${yi}
+variable        y0 equal 7.4096286090877
+
+set             atom $i x ${xnew}
+set             atom 87 x ${xnew}
+set             atom 87 x 3.22349263190785
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 87 y ${ynew}
+set             atom 87 y 7.48321880426669
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2102   -2.9871562   -2.6130804   -2.6095238 
+    2103   -2.9871562   -2.6130804   -2.6086244 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 87 x ${x0}
+set atom 87 x 3.20964491128483
+  1 settings made for x
+set atom $i y ${y0}
+set atom 87 y ${y0}
+set atom 87 y 7.4096286090877
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 39
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.59002644299146
+variable        y0 equal ${yi}
+variable        y0 equal 1.88995120904511
+
+set             atom $i x ${xnew}
+set             atom 39 x ${xnew}
+set             atom 39 x 9.58818526743528
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 39 y ${ynew}
+set             atom 39 y 1.79969125173157
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2103   -2.9871562   -2.6130804   -2.6086244 
+    2104   -2.9871562   -2.6130804   -2.6200879 
+Loop time of 7.79629e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.6200879197493
+variable naccept equal ${increment}
+variable naccept equal 416
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 38
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.09958864171057
+variable        y0 equal ${yi}
+variable        y0 equal 2.75573046180108
+
+set             atom $i x ${xnew}
+set             atom 38 x ${xnew}
+set             atom 38 x 9.11790669877081
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 38 y ${ynew}
+set             atom 38 y 2.78082419606545
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2104   -2.9871562   -2.6200879   -2.6200879 
+    2105   -2.9871562   -2.6200879   -2.6153046 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 38 x ${x0}
+set atom 38 x 9.09958864171057
+  1 settings made for x
+set atom $i y ${y0}
+set atom 38 y ${y0}
+set atom 38 y 2.75573046180108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 97
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.64328949609225
+variable        y0 equal ${yi}
+variable        y0 equal 7.40728055563236
+
+set             atom $i x ${xnew}
+set             atom 97 x ${xnew}
+set             atom 97 x 8.73927835383837
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 97 y ${ynew}
+set             atom 97 y 7.43643005218769
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2105   -2.9871562   -2.6200879   -2.6153046 
+    2106   -2.9871562   -2.6200879    -2.602295 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 97 x ${x0}
+set atom 97 x 8.64328949609225
+  1 settings made for x
+set atom $i y ${y0}
+set atom 97 y ${y0}
+set atom 97 y 7.40728055563236
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 12
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.84254707057468
+variable        y0 equal ${yi}
+variable        y0 equal 0.912364717233509
+
+set             atom $i x ${xnew}
+set             atom 12 x ${xnew}
+set             atom 12 x 5.85205892283908
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 12 y ${ynew}
+set             atom 12 y 0.848480756986469
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2106   -2.9871562   -2.6200879    -2.602295 
+    2107   -2.9871562   -2.6200879   -2.6065601 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 12 x ${x0}
+set atom 12 x 5.84254707057468
+  1 settings made for x
+set atom $i y ${y0}
+set atom 12 y ${y0}
+set atom 12 y 0.912364717233509
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1789412740728
+variable        y0 equal ${yi}
+variable        y0 equal 2.78276804658273
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.1268543247244
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.81691535683969
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2107   -2.9871562   -2.6200879   -2.6065601 
+    2108   -2.9871562   -2.6200879   -2.6123192 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.1789412740728
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.78276804658273
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.01011228838607
+variable        y0 equal ${yi}
+variable        y0 equal 4.6700352584736
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 7.02137503901168
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.76226057166025
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2108   -2.9871562   -2.6200879   -2.6123192 
+    2109   -2.9871562   -2.6200879   -2.5793092 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.01011228838607
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.6700352584736
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.40227376301499
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.49180651848514
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2109   -2.9871562   -2.6200879   -2.5793092 
+    2110   -2.9871562   -2.6200879   -2.6176255 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 7
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.22492432355444
+variable        y0 equal ${yi}
+variable        y0 equal 0.0240613460540867
+
+set             atom $i x ${xnew}
+set             atom 7 x ${xnew}
+set             atom 7 x 3.14267817496817
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 7 y ${ynew}
+set             atom 7 y 0.00796296596528055
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2110   -2.9871562   -2.6200879   -2.6176255 
+    2111   -2.9871562   -2.6200879   -2.6096072 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 7 x ${x0}
+set atom 7 x 3.22492432355444
+  1 settings made for x
+set atom $i y ${y0}
+set atom 7 y ${y0}
+set atom 7 y 0.0240613460540867
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 76
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.12744101880885
+variable        y0 equal ${yi}
+variable        y0 equal 6.56631985441675
+
+set             atom $i x ${xnew}
+set             atom 76 x ${xnew}
+set             atom 76 x 8.0827975571046
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 76 y ${ynew}
+set             atom 76 y 6.62058724895944
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2111   -2.9871562   -2.6200879   -2.6096072 
+    2112   -2.9871562   -2.6200879    -2.615825 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 76 x ${x0}
+set atom 76 x 8.12744101880885
+  1 settings made for x
+set atom $i y ${y0}
+set atom 76 y ${y0}
+set atom 76 y 6.56631985441675
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 87
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.20964491128483
+variable        y0 equal ${yi}
+variable        y0 equal 7.4096286090877
+
+set             atom $i x ${xnew}
+set             atom 87 x ${xnew}
+set             atom 87 x 3.28255841493168
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 87 y ${ynew}
+set             atom 87 y 7.50208472337984
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2112   -2.9871562   -2.6200879    -2.615825 
+    2113   -2.9871562   -2.6200879   -2.6012276 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 87 x ${x0}
+set atom 87 x 3.20964491128483
+  1 settings made for x
+set atom $i y ${y0}
+set atom 87 y ${y0}
+set atom 87 y 7.4096286090877
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.23979663292276
+variable        y0 equal ${yi}
+variable        y0 equal 5.5713402385016
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.23980398813593
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.55024149363237
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2113   -2.9871562   -2.6200879   -2.6012276 
+    2114   -2.9871562   -2.6200879   -2.6184157 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 65 x ${x0}
+set atom 65 x 2.23979663292276
+  1 settings made for x
+set atom $i y ${y0}
+set atom 65 y ${y0}
+set atom 65 y 5.5713402385016
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.69106418092681
+variable        y0 equal ${yi}
+variable        y0 equal 0.920749815214004
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.71659301717711
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 0.993120976198043
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2114   -2.9871562   -2.6200879   -2.6184157 
+    2115   -2.9871562   -2.6200879   -2.6145995 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 6 x ${x0}
+set atom 6 x 2.69106418092681
+  1 settings made for x
+set atom $i y ${y0}
+set atom 6 y ${y0}
+set atom 6 y 0.920749815214004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 86
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.71264111001922
+variable        y0 equal ${yi}
+variable        y0 equal 8.37165092147884
+
+set             atom $i x ${xnew}
+set             atom 86 x ${xnew}
+set             atom 86 x 2.71496112544967
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 86 y ${ynew}
+set             atom 86 y 8.36825541175899
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2115   -2.9871562   -2.6200879   -2.6145995 
+    2116   -2.9871562   -2.6200879   -2.6200035 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 86 x ${x0}
+set atom 86 x 2.71264111001922
+  1 settings made for x
+set atom $i y ${y0}
+set atom 86 y ${y0}
+set atom 86 y 8.37165092147884
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 56
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.10495061277249
+variable        y0 equal ${yi}
+variable        y0 equal 4.66507560366557
+
+set             atom $i x ${xnew}
+set             atom 56 x ${xnew}
+set             atom 56 x 8.02358734010556
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 56 y ${ynew}
+set             atom 56 y 4.70106228941844
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2116   -2.9871562   -2.6200879   -2.6200035 
+    2117   -2.9871562   -2.6200879   -2.6127151 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 56 x ${x0}
+set atom 56 x 8.10495061277249
+  1 settings made for x
+set atom $i y ${y0}
+set atom 56 y ${y0}
+set atom 56 y 4.66507560366557
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.82160441517171
+variable        y0 equal ${yi}
+variable        y0 equal 8.38617150701579
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.77769045471486
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.40564451135692
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2117   -2.9871562   -2.6200879   -2.6127151 
+    2118   -2.9871562   -2.6200879   -2.6144668 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 90 x ${x0}
+set atom 90 x 4.82160441517171
+  1 settings made for x
+set atom $i y ${y0}
+set atom 90 y ${y0}
+set atom 90 y 8.38617150701579
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 50
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.95269535421668
+variable        y0 equal ${yi}
+variable        y0 equal 4.50253551358148
+
+set             atom $i x ${xnew}
+set             atom 50 x ${xnew}
+set             atom 50 x 5.01379267811118
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 50 y ${ynew}
+set             atom 50 y 4.55057667845651
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2118   -2.9871562   -2.6200879   -2.6144668 
+    2119   -2.9871562   -2.6200879   -2.6151538 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 50 x ${x0}
+set atom 50 x 4.95269535421668
+  1 settings made for x
+set atom $i y ${y0}
+set atom 50 y ${y0}
+set atom 50 y 4.50253551358148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.13902074734077
+variable        y0 equal ${yi}
+variable        y0 equal 9.29444277990191
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 2.22520183960304
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y 9.33449799526064
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2119   -2.9871562   -2.6200879   -2.6151538 
+    2120   -2.9871562   -2.6200879   -2.6039994 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 5 x ${x0}
+set atom 5 x 2.13902074734077
+  1 settings made for x
+set atom $i y ${y0}
+set atom 5 y ${y0}
+set atom 5 y 9.29444277990191
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.7265060384922
+variable        y0 equal ${yi}
+variable        y0 equal 1.84549867293901
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x 10.7632713158779
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 1.82145874879427
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2120   -2.9871562   -2.6200879   -2.6039994 
+    2121   -2.9871562   -2.6200879   -2.6167432 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 21 x ${x0}
+set atom 21 x 10.7265060384922
+  1 settings made for x
+set atom $i y ${y0}
+set atom 21 y ${y0}
+set atom 21 y 1.84549867293901
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 73
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.49922751902657
+variable        y0 equal ${yi}
+variable        y0 equal 5.52039463465411
+
+set             atom $i x ${xnew}
+set             atom 73 x ${xnew}
+set             atom 73 x 6.4561936092289
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 73 y ${ynew}
+set             atom 73 y 5.48818509524066
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2121   -2.9871562   -2.6200879   -2.6167432 
+    2122   -2.9871562   -2.6200879   -2.6023197 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 73 x ${x0}
+set atom 73 x 6.49922751902657
+  1 settings made for x
+set atom $i y ${y0}
+set atom 73 y ${y0}
+set atom 73 y 5.52039463465411
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.88060106316253
+variable        y0 equal ${yi}
+variable        y0 equal 0.960105260122139
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.78331792631789
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 0.960430355775673
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2122   -2.9871562   -2.6200879   -2.6023197 
+    2123   -2.9871562   -2.6200879    -2.587116 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 14 x ${x0}
+set atom 14 x 6.88060106316253
+  1 settings made for x
+set atom $i y ${y0}
+set atom 14 y ${y0}
+set atom 14 y 0.960105260122139
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.52396155435811
+variable        y0 equal ${yi}
+variable        y0 equal 3.76348131461275
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.57654489118825
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.81131917996538
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2123   -2.9871562   -2.6200879    -2.587116 
+    2124   -2.9871562   -2.6200879   -2.6063564 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 55 x ${x0}
+set atom 55 x 7.52396155435811
+  1 settings made for x
+set atom $i y ${y0}
+set atom 55 y ${y0}
+set atom 55 y 3.76348131461275
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 50
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.95269535421668
+variable        y0 equal ${yi}
+variable        y0 equal 4.50253551358148
+
+set             atom $i x ${xnew}
+set             atom 50 x ${xnew}
+set             atom 50 x 4.94949764847098
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 50 y ${ynew}
+set             atom 50 y 4.44274565333291
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2124   -2.9871562   -2.6200879   -2.6063564 
+    2125   -2.9871562   -2.6200879   -2.5385927 
+Loop time of 4.79221e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 50 x ${x0}
+set atom 50 x 4.95269535421668
+  1 settings made for x
+set atom $i y ${y0}
+set atom 50 y ${y0}
+set atom 50 y 4.50253551358148
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31596373716261
+variable        y0 equal ${yi}
+variable        y0 equal 1.83819601914949
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.22645022073652
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 1.75900538346834
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2125   -2.9871562   -2.6200879   -2.5385927 
+    2126   -2.9871562   -2.6200879     -2.57439 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 31 x ${x0}
+set atom 31 x 5.31596373716261
+  1 settings made for x
+set atom $i y ${y0}
+set atom 31 y ${y0}
+set atom 31 y 1.83819601914949
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 100
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.131702781107
+variable        y0 equal ${yi}
+variable        y0 equal 8.31063791431484
+
+set             atom $i x ${xnew}
+set             atom 100 x ${xnew}
+set             atom 100 x 10.2269450549145
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 100 y ${ynew}
+set             atom 100 y 8.28602925457058
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2126   -2.9871562   -2.6200879     -2.57439 
+    2127   -2.9871562   -2.6200879   -2.6131375 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 100 x ${x0}
+set atom 100 x 10.131702781107
+  1 settings made for x
+set atom $i y ${y0}
+set atom 100 y ${y0}
+set atom 100 y 8.31063791431484
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 3
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.02897904236965
+variable        y0 equal ${yi}
+variable        y0 equal 9.27259716499179
+
+set             atom $i x ${xnew}
+set             atom 3 x ${xnew}
+set             atom 3 x 0.93149653990917
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 3 y ${ynew}
+set             atom 3 y 9.2924638341698
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2127   -2.9871562   -2.6200879   -2.6131375 
+    2128   -2.9871562   -2.6200879   -2.6058255 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 3 x ${x0}
+set atom 3 x 1.02897904236965
+  1 settings made for x
+set atom $i y ${y0}
+set atom 3 y ${y0}
+set atom 3 y 9.27259716499179
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.51557409285624
+variable        y0 equal ${yi}
+variable        y0 equal 3.75448479218613
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.55205233811457
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.82917621894013
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2128   -2.9871562   -2.6200879   -2.6058255 
+    2129   -2.9871562   -2.6200879   -2.5924847 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 53 x ${x0}
+set atom 53 x 6.51557409285624
+  1 settings made for x
+set atom $i y ${y0}
+set atom 53 y ${y0}
+set atom 53 y 3.75448479218613
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.40156468867379
+variable        y0 equal ${yi}
+variable        y0 equal 0.00304889678955437
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.41578329323846
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y 0.000196850299838794
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2129   -2.9871562   -2.6200879   -2.5924847 
+    2130   -2.9871562   -2.6200879   -2.6197265 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 13 x ${x0}
+set atom 13 x 6.40156468867379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 13 y ${y0}
+set atom 13 y 0.00304889678955437
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.78193971434718
+variable        y0 equal ${yi}
+variable        y0 equal 8.31736352361736
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.70840985098964
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.24727023757992
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2130   -2.9871562   -2.6200879   -2.6197265 
+    2131   -2.9871562   -2.6200879   -2.5958322 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.78193971434718
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.31736352361736
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.18122052589761
+variable        y0 equal ${yi}
+variable        y0 equal 7.43532284822726
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.2494419757496
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.518750861552
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2131   -2.9871562   -2.6200879   -2.5958322 
+    2132   -2.9871562   -2.6200879   -2.5847612 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.18122052589761
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.43532284822726
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.05432130693294
+variable        y0 equal ${yi}
+variable        y0 equal 8.31604041971262
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.12337232230998
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.28358571447428
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2132   -2.9871562   -2.6200879   -2.5847612 
+    2133   -2.9871562   -2.6200879   -2.6025478 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.05432130693294
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.31604041971262
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 41
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.7038741310291
+variable        y0 equal ${yi}
+variable        y0 equal 3.65389419360293
+
+set             atom $i x ${xnew}
+set             atom 41 x ${xnew}
+set             atom 41 x 10.6059737880878
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 41 y ${ynew}
+set             atom 41 y 3.69498593373431
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2133   -2.9871562   -2.6200879   -2.6025478 
+    2134   -2.9871562   -2.6200879     -2.59689 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 41 x ${x0}
+set atom 41 x 10.7038741310291
+  1 settings made for x
+set atom $i y ${y0}
+set atom 41 y ${y0}
+set atom 41 y 3.65389419360293
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 87
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.20964491128483
+variable        y0 equal ${yi}
+variable        y0 equal 7.4096286090877
+
+set             atom $i x ${xnew}
+set             atom 87 x ${xnew}
+set             atom 87 x 3.2147117829279
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 87 y ${ynew}
+set             atom 87 y 7.31519803133273
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2134   -2.9871562   -2.6200879     -2.59689 
+    2135   -2.9871562   -2.6200879   -2.5810694 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 87 x ${x0}
+set atom 87 x 3.20964491128483
+  1 settings made for x
+set atom $i y ${y0}
+set atom 87 y ${y0}
+set atom 87 y 7.4096286090877
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.51557409285624
+variable        y0 equal ${yi}
+variable        y0 equal 3.75448479218613
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.41877715109904
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.6553682164682
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2135   -2.9871562   -2.6200879   -2.5810694 
+    2136   -2.9871562   -2.6200879   -2.5694547 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 53 x ${x0}
+set atom 53 x 6.51557409285624
+  1 settings made for x
+set atom $i y ${y0}
+set atom 53 y ${y0}
+set atom 53 y 3.75448479218613
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.98599239308387
+variable        y0 equal ${yi}
+variable        y0 equal 0.925951715219346
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 8.97489865738899
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 0.975417896020738
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2136   -2.9871562   -2.6200879   -2.5694547 
+    2137   -2.9871562   -2.6200879   -2.6069619 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 18 x ${x0}
+set atom 18 x 8.98599239308387
+  1 settings made for x
+set atom $i y ${y0}
+set atom 18 y ${y0}
+set atom 18 y 0.925951715219346
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 67
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.31808795690099
+variable        y0 equal ${yi}
+variable        y0 equal 5.6091846699019
+
+set             atom $i x ${xnew}
+set             atom 67 x ${xnew}
+set             atom 67 x 3.30972831010381
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 67 y ${ynew}
+set             atom 67 y 5.57299091761308
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2137   -2.9871562   -2.6200879   -2.6069619 
+    2138   -2.9871562   -2.6200879   -2.6225973 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.6225973127486
+variable naccept equal ${increment}
+variable naccept equal 417
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 76
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.12744101880885
+variable        y0 equal ${yi}
+variable        y0 equal 6.56631985441675
+
+set             atom $i x ${xnew}
+set             atom 76 x ${xnew}
+set             atom 76 x 8.06254464982844
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 76 y ${ynew}
+set             atom 76 y 6.65305718914499
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2138   -2.9871562   -2.6225973   -2.6225973 
+    2139   -2.9871562   -2.6225973   -2.5998862 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 76 x ${x0}
+set atom 76 x 8.12744101880885
+  1 settings made for x
+set atom $i y ${y0}
+set atom 76 y ${y0}
+set atom 76 y 6.56631985441675
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 39
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.58818526743528
+variable        y0 equal ${yi}
+variable        y0 equal 1.79969125173157
+
+set             atom $i x ${xnew}
+set             atom 39 x ${xnew}
+set             atom 39 x 9.58521930454847
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 39 y ${ynew}
+set             atom 39 y 1.81828533790177
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2139   -2.9871562   -2.6225973   -2.5998862 
+    2140   -2.9871562   -2.6225973   -2.6236487 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.62364873252181
+variable naccept equal ${increment}
+variable naccept equal 418
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.98550258834353
+variable        y0 equal ${yi}
+variable        y0 equal 6.47227353588572
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 5.89791622121325
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.39410578743449
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2140   -2.9871562   -2.6236487   -2.6236487 
+    2141   -2.9871562   -2.6236487   -2.5969675 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 72 x ${x0}
+set atom 72 x 5.98550258834353
+  1 settings made for x
+set atom $i y ${y0}
+set atom 72 y ${y0}
+set atom 72 y 6.47227353588572
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 12
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.84254707057468
+variable        y0 equal ${yi}
+variable        y0 equal 0.912364717233509
+
+set             atom $i x ${xnew}
+set             atom 12 x ${xnew}
+set             atom 12 x 5.87521219213001
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 12 y ${ynew}
+set             atom 12 y 0.994567557084888
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2141   -2.9871562   -2.6236487   -2.5969675 
+    2142   -2.9871562   -2.6236487   -2.6143354 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 12 x ${x0}
+set atom 12 x 5.84254707057468
+  1 settings made for x
+set atom $i y ${y0}
+set atom 12 y ${y0}
+set atom 12 y 0.912364717233509
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.05432130693294
+variable        y0 equal ${yi}
+variable        y0 equal 8.31604041971262
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 7.96191276906825
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.36252727426584
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2142   -2.9871562   -2.6236487   -2.6143354 
+    2143   -2.9871562   -2.6236487   -2.6076814 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.05432130693294
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.31604041971262
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.29028950968
+variable        y0 equal ${yi}
+variable        y0 equal 6.46599212423793
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.3269579891226
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.38312428728572
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2143   -2.9871562   -2.6236487   -2.6076814 
+    2144   -2.9871562   -2.6236487   -2.6039298 
+Loop time of 4.91142e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 80 x ${x0}
+set atom 80 x 10.29028950968
+  1 settings made for x
+set atom $i y ${y0}
+set atom 80 y ${y0}
+set atom 80 y 6.46599212423793
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 26
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.65343800981474
+variable        y0 equal ${yi}
+variable        y0 equal 2.85940663787225
+
+set             atom $i x ${xnew}
+set             atom 26 x ${xnew}
+set             atom 26 x 2.65179307659102
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 26 y ${ynew}
+set             atom 26 y 2.85066882344583
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2144   -2.9871562   -2.6236487   -2.6039298 
+    2145   -2.9871562   -2.6236487   -2.6241195 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.62411949608528
+variable naccept equal ${increment}
+variable naccept equal 419
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 75
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.54070384342442
+variable        y0 equal ${yi}
+variable        y0 equal 5.62746680920321
+
+set             atom $i x ${xnew}
+set             atom 75 x ${xnew}
+set             atom 75 x 7.52148601848851
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 75 y ${ynew}
+set             atom 75 y 5.57813051884371
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2145   -2.9871562   -2.6241195   -2.6241195 
+    2146   -2.9871562   -2.6241195   -2.6300298 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.63002982078278
+variable naccept equal ${increment}
+variable naccept equal 420
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.19388546387063
+variable        y0 equal ${yi}
+variable        y0 equal 3.77270575328004
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.21367698351251
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.83594119115007
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2146   -2.9871562   -2.6300298   -2.6300298 
+    2147   -2.9871562   -2.6300298   -2.6199512 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 45 x ${x0}
+set atom 45 x 2.19388546387063
+  1 settings made for x
+set atom $i y ${y0}
+set atom 45 y ${y0}
+set atom 45 y 3.77270575328004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.545649071136379
+variable        y0 equal ${yi}
+variable        y0 equal 2.77431966039041
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.509818597236538
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.85319542857507
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2147   -2.9871562   -2.6300298   -2.6199512 
+    2148   -2.9871562   -2.6300298   -2.6147826 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.545649071136379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.77431966039041
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 95
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.50331240732442
+variable        y0 equal ${yi}
+variable        y0 equal 7.44483136263156
+
+set             atom $i x ${xnew}
+set             atom 95 x ${xnew}
+set             atom 95 x 7.45119087536107
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 95 y ${ynew}
+set             atom 95 y 7.50670339193606
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2148   -2.9871562   -2.6300298   -2.6147826 
+    2149   -2.9871562   -2.6300298    -2.603663 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 95 x ${x0}
+set atom 95 x 7.50331240732442
+  1 settings made for x
+set atom $i y ${y0}
+set atom 95 y ${y0}
+set atom 95 y 7.44483136263156
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.71933239896727
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.76648275011941
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2149   -2.9871562   -2.6300298    -2.603663 
+    2150   -2.9871562   -2.6300298   -2.5927919 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.98599239308387
+variable        y0 equal ${yi}
+variable        y0 equal 0.925951715219346
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 8.93179502207786
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 0.948751588571397
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2150   -2.9871562   -2.6300298   -2.5927919 
+    2151   -2.9871562   -2.6300298     -2.61037 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 18 x ${x0}
+set atom 18 x 8.98599239308387
+  1 settings made for x
+set atom $i y ${y0}
+set atom 18 y ${y0}
+set atom 18 y 0.925951715219346
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 19
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.57771970509168
+variable        y0 equal ${yi}
+variable        y0 equal 0.0528771042823788
+
+set             atom $i x ${xnew}
+set             atom 19 x ${xnew}
+set             atom 19 x 9.66187344072934
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 19 y ${ynew}
+set             atom 19 y 0.0345873475074765
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2151   -2.9871562   -2.6300298     -2.61037 
+    2152   -2.9871562   -2.6300298   -2.5936973 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 19 x ${x0}
+set atom 19 x 9.57771970509168
+  1 settings made for x
+set atom $i y ${y0}
+set atom 19 y ${y0}
+set atom 19 y 0.0528771042823788
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 95
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.50331240732442
+variable        y0 equal ${yi}
+variable        y0 equal 7.44483136263156
+
+set             atom $i x ${xnew}
+set             atom 95 x ${xnew}
+set             atom 95 x 7.48750804502736
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 95 y ${ynew}
+set             atom 95 y 7.45525549974704
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2152   -2.9871562   -2.6300298   -2.5936973 
+    2153   -2.9871562   -2.6300298   -2.6272691 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 95 x ${x0}
+set atom 95 x 7.50331240732442
+  1 settings made for x
+set atom $i y ${y0}
+set atom 95 y ${y0}
+set atom 95 y 7.44483136263156
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 75
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.52148601848851
+variable        y0 equal ${yi}
+variable        y0 equal 5.57813051884371
+
+set             atom $i x ${xnew}
+set             atom 75 x ${xnew}
+set             atom 75 x 7.49765412647496
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 75 y ${ynew}
+set             atom 75 y 5.61887504999834
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2153   -2.9871562   -2.6300298   -2.6272691 
+    2154   -2.9871562   -2.6300298   -2.6124774 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 75 x ${x0}
+set atom 75 x 7.52148601848851
+  1 settings made for x
+set atom $i y ${y0}
+set atom 75 y ${y0}
+set atom 75 y 5.57813051884371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 10
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.77766234516441
+variable        y0 equal ${yi}
+variable        y0 equal 0.927607925641864
+
+set             atom $i x ${xnew}
+set             atom 10 x ${xnew}
+set             atom 10 x 4.84027757286369
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 10 y ${ynew}
+set             atom 10 y 0.939836986768573
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2154   -2.9871562   -2.6300298   -2.6124774 
+    2155   -2.9871562   -2.6300298   -2.6198505 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 10 x ${x0}
+set atom 10 x 4.77766234516441
+  1 settings made for x
+set atom $i y ${y0}
+set atom 10 y ${y0}
+set atom 10 y 0.927607925641864
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.57288145302412
+variable        y0 equal ${yi}
+variable        y0 equal 3.68945432467593
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.59767272947905
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.63454348607196
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2155   -2.9871562   -2.6300298   -2.6198505 
+    2156   -2.9871562   -2.6300298   -2.6234128 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 59 x ${x0}
+set atom 59 x 9.57288145302412
+  1 settings made for x
+set atom $i y ${y0}
+set atom 59 y ${y0}
+set atom 59 y 3.68945432467593
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.525174053111937
+variable        y0 equal ${yi}
+variable        y0 equal 0.894475575197066
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.561173851886656
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.96259361099037
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2156   -2.9871562   -2.6300298   -2.6234128 
+    2157   -2.9871562   -2.6300298   -2.6232034 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.525174053111937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 0.894475575197066
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 86
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.71264111001922
+variable        y0 equal ${yi}
+variable        y0 equal 8.37165092147884
+
+set             atom $i x ${xnew}
+set             atom 86 x ${xnew}
+set             atom 86 x 2.6349093218608
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 86 y ${ynew}
+set             atom 86 y 8.37413177408275
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2157   -2.9871562   -2.6300298   -2.6232034 
+    2158   -2.9871562   -2.6300298   -2.6175069 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 86 x ${x0}
+set atom 86 x 2.71264111001922
+  1 settings made for x
+set atom $i y ${y0}
+set atom 86 y ${y0}
+set atom 86 y 8.37165092147884
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.19388546387063
+variable        y0 equal ${yi}
+variable        y0 equal 3.77270575328004
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.22737614551888
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.80675087733399
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2158   -2.9871562   -2.6300298   -2.6175069 
+    2159   -2.9871562   -2.6300298    -2.621983 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 45 x ${x0}
+set atom 45 x 2.19388546387063
+  1 settings made for x
+set atom $i y ${y0}
+set atom 45 y ${y0}
+set atom 45 y 3.77270575328004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 68
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80623258868343
+variable        y0 equal ${yi}
+variable        y0 equal 6.50073292986383
+
+set             atom $i x ${xnew}
+set             atom 68 x ${xnew}
+set             atom 68 x 3.8936877421487
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 68 y ${ynew}
+set             atom 68 y 6.46438070074548
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2159   -2.9871562   -2.6300298    -2.621983 
+    2160   -2.9871562   -2.6300298   -2.6187508 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 68 x ${x0}
+set atom 68 x 3.80623258868343
+  1 settings made for x
+set atom $i y ${y0}
+set atom 68 y ${y0}
+set atom 68 y 6.50073292986383
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.32252682526322
+variable        y0 equal ${yi}
+variable        y0 equal 7.38917808857226
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.35552197773667
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.31590668287539
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2160   -2.9871562   -2.6300298   -2.6187508 
+    2161   -2.9871562   -2.6300298   -2.6084269 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 89 x ${x0}
+set atom 89 x 4.32252682526322
+  1 settings made for x
+set atom $i y ${y0}
+set atom 89 y ${y0}
+set atom 89 y 7.38917808857226
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 8
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.72890197554714
+variable        y0 equal ${yi}
+variable        y0 equal 1.0604893166903
+
+set             atom $i x ${xnew}
+set             atom 8 x ${xnew}
+set             atom 8 x 3.69528594533092
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 8 y ${ynew}
+set             atom 8 y 1.04593522142205
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2161   -2.9871562   -2.6300298   -2.6084269 
+    2162   -2.9871562   -2.6300298   -2.6296063 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 8 x ${x0}
+set atom 8 x 3.72890197554714
+  1 settings made for x
+set atom $i y ${y0}
+set atom 8 y ${y0}
+set atom 8 y 1.0604893166903
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.89040735601722
+variable        y0 equal ${yi}
+variable        y0 equal 6.45623155371179
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.851180287593
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.52295089498987
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2162   -2.9871562   -2.6300298   -2.6296063 
+    2163   -2.9871562   -2.6300298   -2.6208491 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 4.89040735601722
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.45623155371179
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.46753388483297
+variable        y0 equal ${yi}
+variable        y0 equal 0.0335806965827942
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.39618613559972
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y -0.00179249048233031
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2163   -2.9871562   -2.6300298   -2.6208491 
+    2164   -2.9871562   -2.6300298   -2.6210892 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 15 x ${x0}
+set atom 15 x 7.46753388483297
+  1 settings made for x
+set atom $i y ${y0}
+set atom 15 y ${y0}
+set atom 15 y 0.0335806965827942
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 19
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.57771970509168
+variable        y0 equal ${yi}
+variable        y0 equal 0.0528771042823788
+
+set             atom $i x ${xnew}
+set             atom 19 x ${xnew}
+set             atom 19 x 9.64814867256757
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 19 y ${ynew}
+set             atom 19 y 0.10313868522644
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2164   -2.9871562   -2.6300298   -2.6210892 
+    2165   -2.9871562   -2.6300298   -2.6001981 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 19 x ${x0}
+set atom 19 x 9.57771970509168
+  1 settings made for x
+set atom $i y ${y0}
+set atom 19 y ${y0}
+set atom 19 y 0.0528771042823788
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.5878455599004
+variable        y0 equal ${yi}
+variable        y0 equal 9.28117802846759
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x 10.5800406058484
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 9.29389863717883
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2165   -2.9871562   -2.6300298   -2.6001981 
+    2166   -2.9871562   -2.6300298   -2.6272467 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 1 x ${x0}
+set atom 1 x 10.5878455599004
+  1 settings made for x
+set atom $i y ${y0}
+set atom 1 y ${y0}
+set atom 1 y 9.28117802846759
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 32
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.92159051854602
+variable        y0 equal ${yi}
+variable        y0 equal 2.79073218079903
+
+set             atom $i x ${xnew}
+set             atom 32 x ${xnew}
+set             atom 32 x 5.92034897763721
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 32 y ${ynew}
+set             atom 32 y 2.80042437287667
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2166   -2.9871562   -2.6300298   -2.6272467 
+    2167   -2.9871562   -2.6300298   -2.6322889 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.63228891003272
+variable naccept equal ${increment}
+variable naccept equal 421
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 24
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59829139590045
+variable        y0 equal ${yi}
+variable        y0 equal 2.77385951253275
+
+set             atom $i x ${xnew}
+set             atom 24 x ${xnew}
+set             atom 24 x 1.4987298834302
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 24 y ${ynew}
+set             atom 24 y 2.85646014186243
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2167   -2.9871562   -2.6322889   -2.6322889 
+    2168   -2.9871562   -2.6322889   -2.5793617 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 24 x ${x0}
+set atom 24 x 1.59829139590045
+  1 settings made for x
+set atom $i y ${y0}
+set atom 24 y ${y0}
+set atom 24 y 2.77385951253275
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.16921079794274
+variable        y0 equal ${yi}
+variable        y0 equal 1.86157575032777
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.09315902630196
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.93753177306718
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2168   -2.9871562   -2.6322889   -2.5793617 
+    2169   -2.9871562   -2.6322889    -2.614135 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.16921079794274
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.86157575032777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.98550258834353
+variable        y0 equal ${yi}
+variable        y0 equal 6.47227353588572
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 5.90453726012698
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.54901037947169
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2169   -2.9871562   -2.6322889    -2.614135 
+    2170   -2.9871562   -2.6322889   -2.6215569 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 72 x ${x0}
+set atom 72 x 5.98550258834353
+  1 settings made for x
+set atom $i y ${y0}
+set atom 72 y ${y0}
+set atom 72 y 6.47227353588572
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1789412740728
+variable        y0 equal ${yi}
+variable        y0 equal 2.78276804658273
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.1320222262403
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.69859794350961
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2170   -2.9871562   -2.6322889   -2.6215569 
+    2171   -2.9871562   -2.6322889   -2.6288003 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.1789412740728
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.78276804658273
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 23
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.07343188841992
+variable        y0 equal ${yi}
+variable        y0 equal 1.85961672446793
+
+set             atom $i x ${xnew}
+set             atom 23 x ${xnew}
+set             atom 23 x 1.12613419612103
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 23 y ${ynew}
+set             atom 23 y 1.80544604442185
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2171   -2.9871562   -2.6322889   -2.6288003 
+    2172   -2.9871562   -2.6322889    -2.621496 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 23 x ${x0}
+set atom 23 x 1.07343188841992
+  1 settings made for x
+set atom $i y ${y0}
+set atom 23 y ${y0}
+set atom 23 y 1.85961672446793
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.23979663292276
+variable        y0 equal ${yi}
+variable        y0 equal 5.5713402385016
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.26636731068002
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.62028306668001
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2172   -2.9871562   -2.6322889    -2.621496 
+    2173   -2.9871562   -2.6322889   -2.6236692 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 65 x ${x0}
+set atom 65 x 2.23979663292276
+  1 settings made for x
+set atom $i y ${y0}
+set atom 65 y ${y0}
+set atom 65 y 5.5713402385016
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.05432130693294
+variable        y0 equal ${yi}
+variable        y0 equal 8.31604041971262
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.01636735795833
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.26556610979135
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2173   -2.9871562   -2.6322889   -2.6236692 
+    2174   -2.9871562   -2.6322889   -2.6203641 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.05432130693294
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.31604041971262
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 10
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.77766234516441
+variable        y0 equal ${yi}
+variable        y0 equal 0.927607925641864
+
+set             atom $i x ${xnew}
+set             atom 10 x ${xnew}
+set             atom 10 x 4.77048265575706
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 10 y ${ynew}
+set             atom 10 y 0.924355049836963
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2174   -2.9871562   -2.6322889   -2.6203641 
+    2175   -2.9871562   -2.6322889   -2.6320058 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 10 x ${x0}
+set atom 10 x 4.77766234516441
+  1 settings made for x
+set atom $i y ${y0}
+set atom 10 y ${y0}
+set atom 10 y 0.927607925641864
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0324913382529836
+variable        y0 equal ${yi}
+variable        y0 equal 5.50569564049439
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x 0.0636872649192434
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.53414071743683
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2175   -2.9871562   -2.6322889   -2.6320058 
+    2176   -2.9871562   -2.6322889   -2.6306367 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 61 x ${x0}
+set atom 61 x 0.0324913382529836
+  1 settings made for x
+set atom $i y ${y0}
+set atom 61 y ${y0}
+set atom 61 y 5.50569564049439
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.98550258834353
+variable        y0 equal ${yi}
+variable        y0 equal 6.47227353588572
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 6.03180845935336
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.39347034231654
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2176   -2.9871562   -2.6322889   -2.6306367 
+    2177   -2.9871562   -2.6322889   -2.6120081 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 72 x ${x0}
+set atom 72 x 5.98550258834353
+  1 settings made for x
+set atom $i y ${y0}
+set atom 72 y ${y0}
+set atom 72 y 6.47227353588572
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.78193971434718
+variable        y0 equal ${yi}
+variable        y0 equal 8.31736352361736
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.81691999951487
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.36904389776287
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2177   -2.9871562   -2.6322889   -2.6120081 
+    2178   -2.9871562   -2.6322889   -2.6272706 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.78193971434718
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.31736352361736
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 35
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.41105691034568
+variable        y0 equal ${yi}
+variable        y0 equal 1.86285059831208
+
+set             atom $i x ${xnew}
+set             atom 35 x ${xnew}
+set             atom 35 x 7.46483083803428
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 35 y ${ynew}
+set             atom 35 y 1.91416575095719
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2178   -2.9871562   -2.6322889   -2.6272706 
+    2179   -2.9871562   -2.6322889   -2.6138827 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 35 x ${x0}
+set atom 35 x 7.41105691034568
+  1 settings made for x
+set atom $i y ${y0}
+set atom 35 y ${y0}
+set atom 35 y 1.86285059831208
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 33
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.35099447487909
+variable        y0 equal ${yi}
+variable        y0 equal 1.92307773015564
+
+set             atom $i x ${xnew}
+set             atom 33 x ${xnew}
+set             atom 33 x 6.40857841490823
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 33 y ${ynew}
+set             atom 33 y 1.93947959325378
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2179   -2.9871562   -2.6322889   -2.6138827 
+    2180   -2.9871562   -2.6322889   -2.6300536 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 33 x ${x0}
+set atom 33 x 6.35099447487909
+  1 settings made for x
+set atom $i y ${y0}
+set atom 33 y ${y0}
+set atom 33 y 1.92307773015564
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.33377490440275
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y 0.0986716747283911
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2180   -2.9871562   -2.6322889   -2.6300536 
+    2181   -2.9871562   -2.6322889   -2.6040488 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.50235789218808
+variable        y0 equal ${yi}
+variable        y0 equal 3.73372400565278
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.56246399083997
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.82391414208543
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2181   -2.9871562   -2.6322889   -2.6040488 
+    2182   -2.9871562   -2.6322889   -2.5518993 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 51 x ${x0}
+set atom 51 x 5.50235789218808
+  1 settings made for x
+set atom $i y ${y0}
+set atom 51 y ${y0}
+set atom 51 y 3.73372400565278
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.68984863638659
+variable        y0 equal ${yi}
+variable        y0 equal 6.46641751066677
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.71058839440127
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.40961356894009
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2182   -2.9871562   -2.6322889   -2.5518993 
+    2183   -2.9871562   -2.6322889   -2.6201289 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.68984863638659
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.46641751066677
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 100
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.131702781107
+variable        y0 equal ${yi}
+variable        y0 equal 8.31063791431484
+
+set             atom $i x ${xnew}
+set             atom 100 x ${xnew}
+set             atom 100 x 10.1170206431408
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 100 y ${ynew}
+set             atom 100 y 8.22587324298916
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2183   -2.9871562   -2.6322889   -2.6201289 
+    2184   -2.9871562   -2.6322889   -2.5977447 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 100 x ${x0}
+set atom 100 x 10.131702781107
+  1 settings made for x
+set atom $i y ${y0}
+set atom 100 y ${y0}
+set atom 100 y 8.31063791431484
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 37
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.45325187602465
+variable        y0 equal ${yi}
+variable        y0 equal 1.81180926940507
+
+set             atom $i x ${xnew}
+set             atom 37 x ${xnew}
+set             atom 37 x 8.45206713834231
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 37 y ${ynew}
+set             atom 37 y 1.71919764659471
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2184   -2.9871562   -2.6322889   -2.5977447 
+    2185   -2.9871562   -2.6322889    -2.572987 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 37 x ${x0}
+set atom 37 x 8.45325187602465
+  1 settings made for x
+set atom $i y ${y0}
+set atom 37 y ${y0}
+set atom 37 y 1.81180926940507
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.23979663292276
+variable        y0 equal ${yi}
+variable        y0 equal 5.5713402385016
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.30447902122842
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.49337648098665
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2185   -2.9871562   -2.6322889    -2.572987 
+    2186   -2.9871562   -2.6322889   -2.5833659 
+Loop time of 3.91006e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 65 x ${x0}
+set atom 65 x 2.23979663292276
+  1 settings made for x
+set atom $i y ${y0}
+set atom 65 y ${y0}
+set atom 65 y 5.5713402385016
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 99
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.7112571763861
+variable        y0 equal ${yi}
+variable        y0 equal 7.38156818475986
+
+set             atom $i x ${xnew}
+set             atom 99 x ${xnew}
+set             atom 99 x 9.72909265040038
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 99 y ${ynew}
+set             atom 99 y 7.37319054928089
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2186   -2.9871562   -2.6322889   -2.5833659 
+    2187   -2.9871562   -2.6322889   -2.6313097 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 99 x ${x0}
+set atom 99 x 9.7112571763861
+  1 settings made for x
+set atom $i y ${y0}
+set atom 99 y ${y0}
+set atom 99 y 7.38156818475986
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.95025718807079
+variable        y0 equal ${yi}
+variable        y0 equal 0.949378951299518
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 8.04629015325405
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 0.991149731386035
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2187   -2.9871562   -2.6322889   -2.6313097 
+    2188   -2.9871562   -2.6322889   -2.5606987 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 16 x ${x0}
+set atom 16 x 7.95025718807079
+  1 settings made for x
+set atom $i y ${y0}
+set atom 16 y ${y0}
+set atom 16 y 0.949378951299518
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 99
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.7112571763861
+variable        y0 equal ${yi}
+variable        y0 equal 7.38156818475986
+
+set             atom $i x ${xnew}
+set             atom 99 x ${xnew}
+set             atom 99 x 9.72629815815566
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 99 y ${ynew}
+set             atom 99 y 7.43253261175418
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2188   -2.9871562   -2.6322889   -2.5606987 
+    2189   -2.9871562   -2.6322889   -2.6230473 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 99 x ${x0}
+set atom 99 x 9.7112571763861
+  1 settings made for x
+set atom $i y ${y0}
+set atom 99 y ${y0}
+set atom 99 y 7.38156818475986
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.78193971434718
+variable        y0 equal ${yi}
+variable        y0 equal 8.31736352361736
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.72285469094401
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.26033793605861
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2189   -2.9871562   -2.6322889   -2.6230473 
+    2190   -2.9871562   -2.6322889   -2.6171205 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.78193971434718
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.31736352361736
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 76
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.12744101880885
+variable        y0 equal ${yi}
+variable        y0 equal 6.56631985441675
+
+set             atom $i x ${xnew}
+set             atom 76 x ${xnew}
+set             atom 76 x 8.11976422666408
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 76 y ${ynew}
+set             atom 76 y 6.57524594799509
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2190   -2.9871562   -2.6322889   -2.6171205 
+    2191   -2.9871562   -2.6322889   -2.6338345 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.63383448170289
+variable naccept equal ${increment}
+variable naccept equal 422
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.54984512486879
+variable        y0 equal ${yi}
+variable        y0 equal 3.69442252679001
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.53393265166704
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.68288493914734
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2191   -2.9871562   -2.6338345   -2.6338345 
+    2192   -2.9871562   -2.6338345   -2.6328952 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 57 x ${x0}
+set atom 57 x 8.54984512486879
+  1 settings made for x
+set atom $i y ${y0}
+set atom 57 y ${y0}
+set atom 57 y 3.69442252679001
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 95
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.50331240732442
+variable        y0 equal ${yi}
+variable        y0 equal 7.44483136263156
+
+set             atom $i x ${xnew}
+set             atom 95 x ${xnew}
+set             atom 95 x 7.56698740560781
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 95 y ${ynew}
+set             atom 95 y 7.52560106840396
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2192   -2.9871562   -2.6338345   -2.6328952 
+    2193   -2.9871562   -2.6338345   -2.5925507 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 95 x ${x0}
+set atom 95 x 7.50331240732442
+  1 settings made for x
+set atom $i y ${y0}
+set atom 95 y ${y0}
+set atom 95 y 7.44483136263156
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 78
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.15111655909569
+variable        y0 equal ${yi}
+variable        y0 equal 6.52915453449718
+
+set             atom $i x ${xnew}
+set             atom 78 x ${xnew}
+set             atom 78 x 9.12499762494118
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 78 y ${ynew}
+set             atom 78 y 6.61235633627407
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2193   -2.9871562   -2.6338345   -2.5925507 
+    2194   -2.9871562   -2.6338345   -2.5887344 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 78 x ${x0}
+set atom 78 x 9.15111655909569
+  1 settings made for x
+set atom $i y ${y0}
+set atom 78 y ${y0}
+set atom 78 y 6.52915453449718
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.01011228838607
+variable        y0 equal ${yi}
+variable        y0 equal 4.6700352584736
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 7.08131275454208
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.58683464878961
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2194   -2.9871562   -2.6338345   -2.5887344 
+    2195   -2.9871562   -2.6338345   -2.6031246 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.01011228838607
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.6700352584736
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.7265060384922
+variable        y0 equal ${yi}
+variable        y0 equal 1.84549867293901
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x 10.7447922309093
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 1.85953156135149
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2195   -2.9871562   -2.6338345   -2.6031246 
+    2196   -2.9871562   -2.6338345   -2.6342992 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.63429916592371
+variable naccept equal ${increment}
+variable naccept equal 423
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 74
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.04742242375061
+variable        y0 equal ${yi}
+variable        y0 equal 6.46128811375131
+
+set             atom $i x ${xnew}
+set             atom 74 x ${xnew}
+set             atom 74 x 7.13373081961319
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 74 y ${ynew}
+set             atom 74 y 6.41826692358484
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2196   -2.9871562   -2.6342992   -2.6342992 
+    2197   -2.9871562   -2.6342992   -2.5868344 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 74 x ${x0}
+set atom 74 x 7.04742242375061
+  1 settings made for x
+set atom $i y ${y0}
+set atom 74 y ${y0}
+set atom 74 y 6.46128811375131
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 84
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.63794375538607
+variable        y0 equal ${yi}
+variable        y0 equal 8.371298693791
+
+set             atom $i x ${xnew}
+set             atom 84 x ${xnew}
+set             atom 84 x 1.58315851568957
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 84 y ${ynew}
+set             atom 84 y 8.4696780196577
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2197   -2.9871562   -2.6342992   -2.5868344 
+    2198   -2.9871562   -2.6342992   -2.6105888 
+Loop time of 9.20296e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 84 x ${x0}
+set atom 84 x 1.63794375538607
+  1 settings made for x
+set atom $i y ${y0}
+set atom 84 y ${y0}
+set atom 84 y 8.371298693791
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.98550258834353
+variable        y0 equal ${yi}
+variable        y0 equal 6.47227353588572
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 5.90427672822466
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.52109033600321
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2198   -2.9871562   -2.6342992   -2.6105888 
+    2199   -2.9871562   -2.6342992   -2.6267697 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 72 x ${x0}
+set atom 72 x 5.98550258834353
+  1 settings made for x
+set atom $i y ${y0}
+set atom 72 y ${y0}
+set atom 72 y 6.47227353588572
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59001860499163
+variable        y0 equal ${yi}
+variable        y0 equal 4.68076303357049
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.65504903673907
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.70091630572244
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2199   -2.9871562   -2.6342992   -2.6267697 
+    2200   -2.9871562   -2.6342992   -2.6337751 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 44 x ${x0}
+set atom 44 x 1.59001860499163
+  1 settings made for x
+set atom $i y ${y0}
+set atom 44 y ${y0}
+set atom 44 y 4.68076303357049
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.24420675992527
+variable        y0 equal ${yi}
+variable        y0 equal 3.73567457957399
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.16867010354557
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.66352042718065
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2200   -2.9871562   -2.6342992   -2.6337751 
+    2201   -2.9871562   -2.6342992   -2.5990786 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 47 x ${x0}
+set atom 47 x 3.24420675992527
+  1 settings made for x
+set atom $i y ${y0}
+set atom 47 y ${y0}
+set atom 47 y 3.73567457957399
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.35422850051785
+variable        y0 equal ${yi}
+variable        y0 equal 7.41203050937915
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.36143123308087
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.41034705963397
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2201   -2.9871562   -2.6342992   -2.5990786 
+    2202   -2.9871562   -2.6342992   -2.6351018 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.63510179114588
+variable naccept equal ${increment}
+variable naccept equal 424
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.05432130693294
+variable        y0 equal ${yi}
+variable        y0 equal 8.31604041971262
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.08702215551235
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.32450740255411
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2202   -2.9871562   -2.6351018   -2.6351018 
+    2203   -2.9871562   -2.6351018   -2.6286257 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.05432130693294
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.31604041971262
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.58555344500963
+variable        y0 equal ${yi}
+variable        y0 equal 5.67622888033586
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.56843688645784
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.60343744700151
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2203   -2.9871562   -2.6351018   -2.6286257 
+    2204   -2.9871562   -2.6351018   -2.6400046 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.64000457866274
+variable naccept equal ${increment}
+variable naccept equal 425
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 56
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.10495061277249
+variable        y0 equal ${yi}
+variable        y0 equal 4.66507560366557
+
+set             atom $i x ${xnew}
+set             atom 56 x ${xnew}
+set             atom 56 x 8.17066257594922
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 56 y ${ynew}
+set             atom 56 y 4.71952209824488
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2204   -2.9871562   -2.6400046   -2.6400046 
+    2205   -2.9871562   -2.6400046   -2.6139619 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 56 x ${x0}
+set atom 56 x 8.10495061277249
+  1 settings made for x
+set atom $i y ${y0}
+set atom 56 y ${y0}
+set atom 56 y 4.66507560366557
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.46753388483297
+variable        y0 equal ${yi}
+variable        y0 equal 0.0335806965827942
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.51590118248235
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y -0.0645892143249512
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2205   -2.9871562   -2.6400046   -2.6139619 
+    2206   -2.9871562   -2.6400046   -2.6259376 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 15 x ${x0}
+set atom 15 x 7.46753388483297
+  1 settings made for x
+set atom $i y ${y0}
+set atom 15 y ${y0}
+set atom 15 y 0.0335806965827942
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.6009168970563
+variable        y0 equal ${yi}
+variable        y0 equal 0.937610264528124
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.55396683096667
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 0.992782159555285
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2206   -2.9871562   -2.6400046   -2.6259376 
+    2207   -2.9871562   -2.6400046   -2.6252524 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 4 x ${x0}
+set atom 4 x 1.6009168970563
+  1 settings made for x
+set atom $i y ${y0}
+set atom 4 y ${y0}
+set atom 4 y 0.937610264528124
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 75
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.52148601848851
+variable        y0 equal ${yi}
+variable        y0 equal 5.57813051884371
+
+set             atom $i x ${xnew}
+set             atom 75 x ${xnew}
+set             atom 75 x 7.51376069624196
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 75 y ${ynew}
+set             atom 75 y 5.54271740858751
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2207   -2.9871562   -2.6400046   -2.6252524 
+    2208   -2.9871562   -2.6400046   -2.6371516 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 75 x ${x0}
+set atom 75 x 7.52148601848851
+  1 settings made for x
+set atom $i y ${y0}
+set atom 75 y ${y0}
+set atom 75 y 5.57813051884371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 99
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.7112571763861
+variable        y0 equal ${yi}
+variable        y0 equal 7.38156818475986
+
+set             atom $i x ${xnew}
+set             atom 99 x ${xnew}
+set             atom 99 x 9.76883873222945
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 99 y ${ynew}
+set             atom 99 y 7.34022552099491
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2208   -2.9871562   -2.6400046   -2.6371516 
+    2209   -2.9871562   -2.6400046   -2.6297792 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 99 x ${x0}
+set atom 99 x 9.7112571763861
+  1 settings made for x
+set atom $i y ${y0}
+set atom 99 y ${y0}
+set atom 99 y 7.38156818475986
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.72996987302732
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.70884538048669
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2209   -2.9871562   -2.6400046   -2.6297792 
+    2210   -2.9871562   -2.6400046   -2.6345707 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.05432130693294
+variable        y0 equal ${yi}
+variable        y0 equal 8.31604041971262
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 7.99520061611034
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.29110680736597
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2210   -2.9871562   -2.6400046   -2.6345707 
+    2211   -2.9871562   -2.6400046   -2.6297228 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.05432130693294
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.31604041971262
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0324913382529836
+variable        y0 equal ${yi}
+variable        y0 equal 5.50569564049439
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x 0.0358376145362478
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.43615223114686
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2211   -2.9871562   -2.6400046   -2.6297228 
+    2212   -2.9871562   -2.6400046   -2.6189536 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 61 x ${x0}
+set atom 61 x 0.0324913382529836
+  1 settings made for x
+set atom $i y ${y0}
+set atom 61 y ${y0}
+set atom 61 y 5.50569564049439
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.68984863638659
+variable        y0 equal ${yi}
+variable        y0 equal 6.46641751066677
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.64926711201449
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.42752619520656
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2212   -2.9871562   -2.6400046   -2.6189536 
+    2213   -2.9871562   -2.6400046   -2.6285041 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.68984863638659
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.46641751066677
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.57288145302412
+variable        y0 equal ${yi}
+variable        y0 equal 3.68945432467593
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.54570526360151
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.7519022302164
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2213   -2.9871562   -2.6400046   -2.6285041 
+    2214   -2.9871562   -2.6400046   -2.6342096 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 59 x ${x0}
+set atom 59 x 9.57288145302412
+  1 settings made for x
+set atom $i y ${y0}
+set atom 59 y ${y0}
+set atom 59 y 3.68945432467593
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.67618905504179
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.72777192944451
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2214   -2.9871562   -2.6400046   -2.6342096 
+    2215   -2.9871562   -2.6400046   -2.6182832 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 79
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.66362923859236
+variable        y0 equal ${yi}
+variable        y0 equal 5.65359488671022
+
+set             atom $i x ${xnew}
+set             atom 79 x ${xnew}
+set             atom 79 x 9.59947838066694
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 79 y ${ynew}
+set             atom 79 y 5.67939071600633
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2215   -2.9871562   -2.6400046   -2.6182832 
+    2216   -2.9871562   -2.6400046   -2.6191633 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 79 x ${x0}
+set atom 79 x 9.66362923859236
+  1 settings made for x
+set atom $i y ${y0}
+set atom 79 y ${y0}
+set atom 79 y 5.65359488671022
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 84
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.63794375538607
+variable        y0 equal ${yi}
+variable        y0 equal 8.371298693791
+
+set             atom $i x ${xnew}
+set             atom 84 x ${xnew}
+set             atom 84 x 1.62403216242571
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 84 y ${ynew}
+set             atom 84 y 8.29291338838634
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2216   -2.9871562   -2.6400046   -2.6191633 
+    2217   -2.9871562   -2.6400046   -2.6267658 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 84 x ${x0}
+set atom 84 x 1.63794375538607
+  1 settings made for x
+set atom $i y ${y0}
+set atom 84 y ${y0}
+set atom 84 y 8.371298693791
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1789412740728
+variable        y0 equal ${yi}
+variable        y0 equal 2.78276804658273
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.1167970065137
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.82928897115091
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2217   -2.9871562   -2.6400046   -2.6267658 
+    2218   -2.9871562   -2.6400046   -2.6275431 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.1789412740728
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.78276804658273
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.41745940843489
+variable        y0 equal ${yi}
+variable        y0 equal 5.54884942715364
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.33048575321104
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.61187879984575
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2218   -2.9871562   -2.6400046   -2.6275431 
+    2219   -2.9871562   -2.6400046    -2.600824 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 71 x ${x0}
+set atom 71 x 5.41745940843489
+  1 settings made for x
+set atom $i y ${y0}
+set atom 71 y ${y0}
+set atom 71 y 5.54884942715364
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.46753388483297
+variable        y0 equal ${yi}
+variable        y0 equal 0.0335806965827942
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.51125212747823
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y 0.0327272295951843
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2219   -2.9871562   -2.6400046    -2.600824 
+    2220   -2.9871562   -2.6400046   -2.6316097 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 15 x ${x0}
+set atom 15 x 7.46753388483297
+  1 settings made for x
+set atom $i y ${y0}
+set atom 15 y ${y0}
+set atom 15 y 0.0335806965827942
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.545649071136379
+variable        y0 equal ${yi}
+variable        y0 equal 2.77431966039041
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.4954539732131
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.67961403104166
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2220   -2.9871562   -2.6400046   -2.6316097 
+    2221   -2.9871562   -2.6400046   -2.6108998 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.545649071136379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.77431966039041
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.69106418092681
+variable        y0 equal ${yi}
+variable        y0 equal 0.920749815214004
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.75544536312057
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 0.859600444543685
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2221   -2.9871562   -2.6400046   -2.6108998 
+    2222   -2.9871562   -2.6400046   -2.6087973 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 6 x ${x0}
+set atom 6 x 2.69106418092681
+  1 settings made for x
+set atom $i y ${y0}
+set atom 6 y ${y0}
+set atom 6 y 0.920749815214004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.01011228838607
+variable        y0 equal ${yi}
+variable        y0 equal 4.6700352584736
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 7.00678724327727
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.66030267828866
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2222   -2.9871562   -2.6400046   -2.6087973 
+    2223   -2.9871562   -2.6400046   -2.6405961 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.64059614290171
+variable naccept equal ${increment}
+variable naccept equal 426
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.11815181096249
+variable        y0 equal ${yi}
+variable        y0 equal 7.44427507248187
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.1602623256033
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.49009318676257
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2223   -2.9871562   -2.6405961   -2.6405961 
+    2224   -2.9871562   -2.6405961   -2.6305458 
+Loop time of 3.88622e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.11815181096249
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.44427507248187
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 49
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.37311956961365
+variable        y0 equal ${yi}
+variable        y0 equal 3.73546738190782
+
+set             atom $i x ${xnew}
+set             atom 49 x ${xnew}
+set             atom 49 x 4.40494968970032
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 49 y ${ynew}
+set             atom 49 y 3.70771776003969
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2224   -2.9871562   -2.6405961   -2.6305458 
+    2225   -2.9871562   -2.6405961   -2.6364564 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 49 x ${x0}
+set atom 49 x 4.37311956961365
+  1 settings made for x
+set atom $i y ${y0}
+set atom 49 y ${y0}
+set atom 49 y 3.73546738190782
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 87
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.20964491128483
+variable        y0 equal ${yi}
+variable        y0 equal 7.4096286090877
+
+set             atom $i x ${xnew}
+set             atom 87 x ${xnew}
+set             atom 87 x 3.1577268099741
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 87 y ${ynew}
+set             atom 87 y 7.34258509006762
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2225   -2.9871562   -2.6405961   -2.6364564 
+    2226   -2.9871562   -2.6405961   -2.5943055 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 87 x ${x0}
+set atom 87 x 3.20964491128483
+  1 settings made for x
+set atom $i y ${y0}
+set atom 87 y ${y0}
+set atom 87 y 7.4096286090877
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.50235789218808
+variable        y0 equal ${yi}
+variable        y0 equal 3.73372400565278
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.42922221818829
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.64031273884904
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2226   -2.9871562   -2.6405961   -2.5943055 
+    2227   -2.9871562   -2.6405961   -2.6410756 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.64107558412428
+variable naccept equal ${increment}
+variable naccept equal 427
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 60
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.2036228899023
+variable        y0 equal ${yi}
+variable        y0 equal 4.57710585946008
+
+set             atom $i x ${xnew}
+set             atom 60 x ${xnew}
+set             atom 60 x 10.105140138056
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 60 y ${ynew}
+set             atom 60 y 4.55639567727014
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2227   -2.9871562   -2.6410756   -2.6410756 
+    2228   -2.9871562   -2.6410756   -2.6188203 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 60 x ${x0}
+set atom 60 x 10.2036228899023
+  1 settings made for x
+set atom $i y ${y0}
+set atom 60 y ${y0}
+set atom 60 y 4.57710585946008
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.16288858372719
+variable        y0 equal ${yi}
+variable        y0 equal 4.74496568793221
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 9.24345780331642
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.75250763052865
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2228   -2.9871562   -2.6410756   -2.6188203 
+    2229   -2.9871562   -2.6410756   -2.6211932 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 58 x ${x0}
+set atom 58 x 9.16288858372719
+  1 settings made for x
+set atom $i y ${y0}
+set atom 58 y ${y0}
+set atom 58 y 4.74496568793221
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 94
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.99553199091598
+variable        y0 equal ${yi}
+variable        y0 equal 8.37164120592174
+
+set             atom $i x ${xnew}
+set             atom 94 x ${xnew}
+set             atom 94 x 7.00650296488449
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 94 y ${ynew}
+set             atom 94 y 8.36708772100505
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2229   -2.9871562   -2.6410756   -2.6211932 
+    2230   -2.9871562   -2.6410756   -2.6396451 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 94 x ${x0}
+set atom 94 x 6.99553199091598
+  1 settings made for x
+set atom $i y ${y0}
+set atom 94 y ${y0}
+set atom 94 y 8.37164120592174
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 10
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.77766234516441
+variable        y0 equal ${yi}
+variable        y0 equal 0.927607925641864
+
+set             atom $i x ${xnew}
+set             atom 10 x ${xnew}
+set             atom 10 x 4.76744719385444
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 10 y ${ynew}
+set             atom 10 y 1.02594481300148
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2230   -2.9871562   -2.6410756   -2.6396451 
+    2231   -2.9871562   -2.6410756   -2.6261878 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 10 x ${x0}
+set atom 10 x 4.77766234516441
+  1 settings made for x
+set atom $i y ${y0}
+set atom 10 y ${y0}
+set atom 10 y 0.927607925641864
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 79
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.66362923859236
+variable        y0 equal ${yi}
+variable        y0 equal 5.65359488671022
+
+set             atom $i x ${xnew}
+set             atom 79 x ${xnew}
+set             atom 79 x 9.72032564161894
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 79 y ${ynew}
+set             atom 79 y 5.75145021622377
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2231   -2.9871562   -2.6410756   -2.6261878 
+    2232   -2.9871562   -2.6410756   -2.5735543 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 79 x ${x0}
+set atom 79 x 9.66362923859236
+  1 settings made for x
+set atom $i y ${y0}
+set atom 79 y ${y0}
+set atom 79 y 5.65359488671022
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 56
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.10495061277249
+variable        y0 equal ${yi}
+variable        y0 equal 4.66507560366557
+
+set             atom $i x ${xnew}
+set             atom 56 x ${xnew}
+set             atom 56 x 8.05451768039563
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 56 y ${ynew}
+set             atom 56 y 4.66938821429179
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2232   -2.9871562   -2.6410756   -2.5735543 
+    2233   -2.9871562   -2.6410756   -2.6395835 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 56 x ${x0}
+set atom 56 x 8.10495061277249
+  1 settings made for x
+set atom $i y ${y0}
+set atom 56 y ${y0}
+set atom 56 y 4.66507560366557
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 8
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.72890197554714
+variable        y0 equal ${yi}
+variable        y0 equal 1.0604893166903
+
+set             atom $i x ${xnew}
+set             atom 8 x ${xnew}
+set             atom 8 x 3.78728452244884
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 8 y ${ynew}
+set             atom 8 y 1.0832007367495
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2233   -2.9871562   -2.6410756   -2.6395835 
+    2234   -2.9871562   -2.6410756   -2.6247899 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 8 x ${x0}
+set atom 8 x 3.72890197554714
+  1 settings made for x
+set atom $i y ${y0}
+set atom 8 y ${y0}
+set atom 8 y 1.0604893166903
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.56843688645784
+variable        y0 equal ${yi}
+variable        y0 equal 5.60343744700151
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.54218665519182
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.53261637633043
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2234   -2.9871562   -2.6410756   -2.6247899 
+    2235   -2.9871562   -2.6410756   -2.6165417 
+Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 77 x ${x0}
+set atom 77 x 8.56843688645784
+  1 settings made for x
+set atom $i y ${y0}
+set atom 77 y ${y0}
+set atom 77 y 5.60343744700151
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80759401837473
+variable        y0 equal ${yi}
+variable        y0 equal 4.6440585290806
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.81639500180369
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.66692263239786
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2235   -2.9871562   -2.6410756   -2.6165417 
+    2236   -2.9871562   -2.6410756   -2.6386172 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 48 x ${x0}
+set atom 48 x 3.80759401837473
+  1 settings made for x
+set atom $i y ${y0}
+set atom 48 y ${y0}
+set atom 48 y 4.6440585290806
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 38
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.09958864171057
+variable        y0 equal ${yi}
+variable        y0 equal 2.75573046180108
+
+set             atom $i x ${xnew}
+set             atom 38 x ${xnew}
+set             atom 38 x 9.03172226864844
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 38 y ${ynew}
+set             atom 38 y 2.84891916486123
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2236   -2.9871562   -2.6410756   -2.6386172 
+    2237   -2.9871562   -2.6410756    -2.611936 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 38 x ${x0}
+set atom 38 x 9.09958864171057
+  1 settings made for x
+set atom $i y ${y0}
+set atom 38 y ${y0}
+set atom 38 y 2.75573046180108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.525174053111937
+variable        y0 equal ${yi}
+variable        y0 equal 0.894475575197066
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.581514568725493
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.965820964086379
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2237   -2.9871562   -2.6410756    -2.611936 
+    2238   -2.9871562   -2.6410756   -2.6300769 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.525174053111937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 0.894475575197066
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 33
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.35099447487909
+variable        y0 equal ${yi}
+variable        y0 equal 1.92307773015564
+
+set             atom $i x ${xnew}
+set             atom 33 x ${xnew}
+set             atom 33 x 6.44059519290048
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 33 y ${ynew}
+set             atom 33 y 1.90739241025513
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2238   -2.9871562   -2.6410756   -2.6300769 
+    2239   -2.9871562   -2.6410756   -2.6357043 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 33 x ${x0}
+set atom 33 x 6.35099447487909
+  1 settings made for x
+set atom $i y ${y0}
+set atom 33 y ${y0}
+set atom 33 y 1.92307773015564
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 74
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.04742242375061
+variable        y0 equal ${yi}
+variable        y0 equal 6.46128811375131
+
+set             atom $i x ${xnew}
+set             atom 74 x ${xnew}
+set             atom 74 x 6.95081213989899
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 74 y ${ynew}
+set             atom 74 y 6.44733249680032
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2239   -2.9871562   -2.6410756   -2.6357043 
+    2240   -2.9871562   -2.6410756   -2.6241654 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 74 x ${x0}
+set atom 74 x 7.04742242375061
+  1 settings made for x
+set atom $i y ${y0}
+set atom 74 y ${y0}
+set atom 74 y 6.46128811375131
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.20556546488
+variable        y0 equal ${yi}
+variable        y0 equal 0.955296619642108
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.2960436228771
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 0.934980066526263
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2240   -2.9871562   -2.6410756   -2.6241654 
+    2241   -2.9871562   -2.6410756   -2.6150569 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 20 x ${x0}
+set atom 20 x 10.20556546488
+  1 settings made for x
+set atom $i y ${y0}
+set atom 20 y ${y0}
+set atom 20 y 0.955296619642108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.95025718807079
+variable        y0 equal ${yi}
+variable        y0 equal 0.949378951299518
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 7.99767959712841
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 0.893401058423847
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2241   -2.9871562   -2.6410756   -2.6150569 
+    2242   -2.9871562   -2.6410756   -2.6359831 
+Loop time of 0.0425239 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 16 x ${x0}
+set atom 16 x 7.95025718807079
+  1 settings made for x
+set atom $i y ${y0}
+set atom 16 y ${y0}
+set atom 16 y 0.949378951299518
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.6009168970563
+variable        y0 equal ${yi}
+variable        y0 equal 0.937610264528124
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.60156400084277
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 1.000195189226
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2242   -2.9871562   -2.6410756   -2.6359831 
+    2243   -2.9871562   -2.6410756   -2.6306166 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 4 x ${x0}
+set atom 4 x 1.6009168970563
+  1 settings made for x
+set atom $i y ${y0}
+set atom 4 y ${y0}
+set atom 4 y 0.937610264528124
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31596373716261
+variable        y0 equal ${yi}
+variable        y0 equal 1.83819601914949
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.35584142604734
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 1.74454156539506
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2243   -2.9871562   -2.6410756   -2.6306166 
+    2244   -2.9871562   -2.6410756   -2.6098522 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 31 x ${x0}
+set atom 31 x 5.31596373716261
+  1 settings made for x
+set atom $i y ${y0}
+set atom 31 y ${y0}
+set atom 31 y 1.83819601914949
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.54984512486879
+variable        y0 equal ${yi}
+variable        y0 equal 3.69442252679001
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.51070425668184
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.69789800210129
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2244   -2.9871562   -2.6410756   -2.6098522 
+    2245   -2.9871562   -2.6410756   -2.6354104 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 57 x ${x0}
+set atom 57 x 8.54984512486879
+  1 settings made for x
+set atom $i y ${y0}
+set atom 57 y ${y0}
+set atom 57 y 3.69442252679001
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.7447922309093
+variable        y0 equal ${yi}
+variable        y0 equal 1.85953156135149
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x 10.6484573085956
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 1.82453149936266
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2245   -2.9871562   -2.6410756   -2.6354104 
+    2246   -2.9871562   -2.6410756    -2.625782 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 21 x ${x0}
+set atom 21 x 10.7447922309093
+  1 settings made for x
+set atom $i y ${y0}
+set atom 21 y ${y0}
+set atom 21 y 1.85953156135149
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.56843688645784
+variable        y0 equal ${yi}
+variable        y0 equal 5.60343744700151
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.60829929271165
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.58365793173509
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2246   -2.9871562   -2.6410756    -2.625782 
+    2247   -2.9871562   -2.6410756   -2.6367417 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 77 x ${x0}
+set atom 77 x 8.56843688645784
+  1 settings made for x
+set atom $i y ${y0}
+set atom 77 y ${y0}
+set atom 77 y 5.60343744700151
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 8
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.72890197554714
+variable        y0 equal ${yi}
+variable        y0 equal 1.0604893166903
+
+set             atom $i x ${xnew}
+set             atom 8 x ${xnew}
+set             atom 8 x 3.70386859694607
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 8 y ${ynew}
+set             atom 8 y 1.14530382941994
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2247   -2.9871562   -2.6410756   -2.6367417 
+    2248   -2.9871562   -2.6410756   -2.6074789 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 8 x ${x0}
+set atom 8 x 3.72890197554714
+  1 settings made for x
+set atom $i y ${y0}
+set atom 8 y ${y0}
+set atom 8 y 1.0604893166903
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 99
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.7112571763861
+variable        y0 equal ${yi}
+variable        y0 equal 7.38156818475986
+
+set             atom $i x ${xnew}
+set             atom 99 x ${xnew}
+set             atom 99 x 9.74028841732619
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 99 y ${ynew}
+set             atom 99 y 7.37644991007114
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2248   -2.9871562   -2.6410756   -2.6074789 
+    2249   -2.9871562   -2.6410756   -2.6389771 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 99 x ${x0}
+set atom 99 x 9.7112571763861
+  1 settings made for x
+set atom $i y ${y0}
+set atom 99 y ${y0}
+set atom 99 y 7.38156818475986
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.36383705535795
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y 0.0853260159492468
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2249   -2.9871562   -2.6410756   -2.6389771 
+    2250   -2.9871562   -2.6410756   -2.6144278 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59001860499163
+variable        y0 equal ${yi}
+variable        y0 equal 4.68076303357049
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.55247208952685
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.69970897787972
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2250   -2.9871562   -2.6410756   -2.6144278 
+    2251   -2.9871562   -2.6410756   -2.6323976 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 44 x ${x0}
+set atom 44 x 1.59001860499163
+  1 settings made for x
+set atom $i y ${y0}
+set atom 44 y ${y0}
+set atom 44 y 4.68076303357049
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.51557409285624
+variable        y0 equal ${yi}
+variable        y0 equal 3.75448479218613
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.4643855285557
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.79889360232483
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2251   -2.9871562   -2.6410756   -2.6323976 
+    2252   -2.9871562   -2.6410756   -2.6412517 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.64125166841023
+variable naccept equal ${increment}
+variable naccept equal 428
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 24
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59829139590045
+variable        y0 equal ${yi}
+variable        y0 equal 2.77385951253275
+
+set             atom $i x ${xnew}
+set             atom 24 x ${xnew}
+set             atom 24 x 1.65743353247424
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 24 y ${ynew}
+set             atom 24 y 2.83319823714594
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2252   -2.9871562   -2.6412517   -2.6412517 
+    2253   -2.9871562   -2.6412517   -2.6344778 
+Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 24 x ${x0}
+set atom 24 x 1.59829139590045
+  1 settings made for x
+set atom $i y ${y0}
+set atom 24 y ${y0}
+set atom 24 y 2.77385951253275
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.98550258834353
+variable        y0 equal ${yi}
+variable        y0 equal 6.47227353588572
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 5.89260969121447
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.43967743650904
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2253   -2.9871562   -2.6412517   -2.6344778 
+    2254   -2.9871562   -2.6412517   -2.6260826 
+Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 72 x ${x0}
+set atom 72 x 5.98550258834353
+  1 settings made for x
+set atom $i y ${y0}
+set atom 72 y ${y0}
+set atom 72 y 6.47227353588572
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 68
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80623258868343
+variable        y0 equal ${yi}
+variable        y0 equal 6.50073292986383
+
+set             atom $i x ${xnew}
+set             atom 68 x ${xnew}
+set             atom 68 x 3.84129056254512
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 68 y ${ynew}
+set             atom 68 y 6.55281087891092
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2254   -2.9871562   -2.6412517   -2.6260826 
+    2255   -2.9871562   -2.6412517   -2.6253133 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 68 x ${x0}
+set atom 68 x 3.80623258868343
+  1 settings made for x
+set atom $i y ${y0}
+set atom 68 y ${y0}
+set atom 68 y 6.50073292986383
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 94
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.99553199091598
+variable        y0 equal ${yi}
+variable        y0 equal 8.37164120592174
+
+set             atom $i x ${xnew}
+set             atom 94 x ${xnew}
+set             atom 94 x 7.09351496973678
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 94 y ${ynew}
+set             atom 94 y 8.46499019779262
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2255   -2.9871562   -2.6412517   -2.6253133 
+    2256   -2.9871562   -2.6412517   -2.5980626 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 94 x ${x0}
+set atom 94 x 6.99553199091598
+  1 settings made for x
+set atom $i y ${y0}
+set atom 94 y ${y0}
+set atom 94 y 8.37164120592174
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 24
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59829139590045
+variable        y0 equal ${yi}
+variable        y0 equal 2.77385951253275
+
+set             atom $i x ${xnew}
+set             atom 24 x ${xnew}
+set             atom 24 x 1.53530735850116
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 24 y ${ynew}
+set             atom 24 y 2.80488238307337
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2256   -2.9871562   -2.6412517   -2.5980626 
+    2257   -2.9871562   -2.6412517   -2.6260632 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 24 x ${x0}
+set atom 24 x 1.59829139590045
+  1 settings made for x
+set atom $i y ${y0}
+set atom 24 y ${y0}
+set atom 24 y 2.77385951253275
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.13902074734077
+variable        y0 equal ${yi}
+variable        y0 equal 9.29444277990191
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 2.1029408518444
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y 9.37131454456179
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2257   -2.9871562   -2.6412517   -2.6260632 
+    2258   -2.9871562   -2.6412517   -2.6321861 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 5 x ${x0}
+set atom 5 x 2.13902074734077
+  1 settings made for x
+set atom $i y ${y0}
+set atom 5 y ${y0}
+set atom 5 y 9.29444277990191
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.00678724327727
+variable        y0 equal ${yi}
+variable        y0 equal 4.66030267828866
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 6.96033571043654
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.57169719094201
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2258   -2.9871562   -2.6412517   -2.6321861 
+    2259   -2.9871562   -2.6412517   -2.5889069 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.00678724327727
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.66030267828866
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.20556546488
+variable        y0 equal ${yi}
+variable        y0 equal 0.955296619642108
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.1851203922291
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 0.955667336690753
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2259   -2.9871562   -2.6412517   -2.5889069 
+    2260   -2.9871562   -2.6412517   -2.6426885 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.64268845966206
+variable naccept equal ${increment}
+variable naccept equal 429
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 32
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.92034897763721
+variable        y0 equal ${yi}
+variable        y0 equal 2.80042437287667
+
+set             atom $i x ${xnew}
+set             atom 32 x ${xnew}
+set             atom 32 x 5.8927123780965
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 32 y ${ynew}
+set             atom 32 y 2.81548951836922
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2260   -2.9871562   -2.6426885   -2.6426885 
+    2261   -2.9871562   -2.6426885   -2.6339392 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 32 x ${x0}
+set atom 32 x 5.92034897763721
+  1 settings made for x
+set atom $i y ${y0}
+set atom 32 y ${y0}
+set atom 32 y 2.80042437287667
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.7447922309093
+variable        y0 equal ${yi}
+variable        y0 equal 1.85953156135149
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x 10.7294097741298
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 1.88619456670351
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2261   -2.9871562   -2.6426885   -2.6339392 
+    2262   -2.9871562   -2.6426885   -2.6416636 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 21 x ${x0}
+set atom 21 x 10.7447922309093
+  1 settings made for x
+set atom $i y ${y0}
+set atom 21 y ${y0}
+set atom 21 y 1.85953156135149
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.28699727455045
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y -0.0275209188461329
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2262   -2.9871562   -2.6426885   -2.6416636 
+    2263   -2.9871562   -2.6426885   -2.6379106 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 68
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80623258868343
+variable        y0 equal ${yi}
+variable        y0 equal 6.50073292986383
+
+set             atom $i x ${xnew}
+set             atom 68 x ${xnew}
+set             atom 68 x 3.85176371852047
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 68 y ${ynew}
+set             atom 68 y 6.41572018400659
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2263   -2.9871562   -2.6426885   -2.6379106 
+    2264   -2.9871562   -2.6426885   -2.6333702 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 68 x ${x0}
+set atom 68 x 3.80623258868343
+  1 settings made for x
+set atom $i y ${y0}
+set atom 68 y ${y0}
+set atom 68 y 6.50073292986383
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 37
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.45325187602465
+variable        y0 equal ${yi}
+variable        y0 equal 1.81180926940507
+
+set             atom $i x ${xnew}
+set             atom 37 x ${xnew}
+set             atom 37 x 8.36870536961977
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 37 y ${ynew}
+set             atom 37 y 1.86362109563417
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2264   -2.9871562   -2.6426885   -2.6333702 
+    2265   -2.9871562   -2.6426885   -2.5900465 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 37 x ${x0}
+set atom 37 x 8.45325187602465
+  1 settings made for x
+set atom $i y ${y0}
+set atom 37 y ${y0}
+set atom 37 y 1.81180926940507
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59001860499163
+variable        y0 equal ${yi}
+variable        y0 equal 4.68076303357049
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.66030511736651
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.60460476035043
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2265   -2.9871562   -2.6426885   -2.5900465 
+    2266   -2.9871562   -2.6426885   -2.6323902 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 44 x ${x0}
+set atom 44 x 1.59001860499163
+  1 settings made for x
+set atom $i y ${y0}
+set atom 44 y ${y0}
+set atom 44 y 4.68076303357049
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 82
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.480583484569456
+variable        y0 equal ${yi}
+variable        y0 equal 8.38369611419733
+
+set             atom $i x ${xnew}
+set             atom 82 x ${xnew}
+set             atom 82 x 0.429380102554228
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 82 y ${ynew}
+set             atom 82 y 8.43213272012766
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2266   -2.9871562   -2.6426885   -2.6323902 
+    2267   -2.9871562   -2.6426885   -2.6333522 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 82 x ${x0}
+set atom 82 x 0.480583484569456
+  1 settings made for x
+set atom $i y ${y0}
+set atom 82 y ${y0}
+set atom 82 y 8.38369611419733
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 24
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59829139590045
+variable        y0 equal ${yi}
+variable        y0 equal 2.77385951253275
+
+set             atom $i x ${xnew}
+set             atom 24 x ${xnew}
+set             atom 24 x 1.66071896433612
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 24 y ${ynew}
+set             atom 24 y 2.77580393525461
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2267   -2.9871562   -2.6426885   -2.6333522 
+    2268   -2.9871562   -2.6426885   -2.6366772 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 24 x ${x0}
+set atom 24 x 1.59829139590045
+  1 settings made for x
+set atom $i y ${y0}
+set atom 24 y ${y0}
+set atom 24 y 2.77385951253275
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 82
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.480583484569456
+variable        y0 equal ${yi}
+variable        y0 equal 8.38369611419733
+
+set             atom $i x ${xnew}
+set             atom 82 x ${xnew}
+set             atom 82 x 0.538078375259306
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 82 y ${ynew}
+set             atom 82 y 8.47642007984217
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2268   -2.9871562   -2.6426885   -2.6366772 
+    2269   -2.9871562   -2.6426885   -2.6035773 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 82 x ${x0}
+set atom 82 x 0.480583484569456
+  1 settings made for x
+set atom $i y ${y0}
+set atom 82 y ${y0}
+set atom 82 y 8.38369611419733
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 79
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.66362923859236
+variable        y0 equal ${yi}
+variable        y0 equal 5.65359488671022
+
+set             atom $i x ${xnew}
+set             atom 79 x ${xnew}
+set             atom 79 x 9.60544870375273
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 79 y ${ynew}
+set             atom 79 y 5.60880309288698
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2269   -2.9871562   -2.6426885   -2.6035773 
+    2270   -2.9871562   -2.6426885    -2.629957 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 79 x ${x0}
+set atom 79 x 9.66362923859236
+  1 settings made for x
+set atom $i y ${y0}
+set atom 79 y ${y0}
+set atom 79 y 5.65359488671022
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 10
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.77766234516441
+variable        y0 equal ${yi}
+variable        y0 equal 0.927607925641864
+
+set             atom $i x ${xnew}
+set             atom 10 x ${xnew}
+set             atom 10 x 4.86486456035911
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 10 y ${ynew}
+set             atom 10 y 1.01032383035454
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2270   -2.9871562   -2.6426885    -2.629957 
+    2271   -2.9871562   -2.6426885   -2.6019734 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 10 x ${x0}
+set atom 10 x 4.77766234516441
+  1 settings made for x
+set atom $i y ${y0}
+set atom 10 y ${y0}
+set atom 10 y 0.927607925641864
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.26565549770261
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y -0.0675253987312342
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2271   -2.9871562   -2.6426885   -2.6019734 
+    2272   -2.9871562   -2.6426885   -2.6204816 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.45467952568741
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.54700359051425
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2272   -2.9871562   -2.6426885   -2.6204816 
+    2273   -2.9871562   -2.6426885   -2.6201268 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.31533217509003
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.51822422688205
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2273   -2.9871562   -2.6426885   -2.6201268 
+    2274   -2.9871562   -2.6426885   -2.6341932 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 98
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.09545654971154
+variable        y0 equal ${yi}
+variable        y0 equal 8.37382508434351
+
+set             atom $i x ${xnew}
+set             atom 98 x ${xnew}
+set             atom 98 x 9.01535943467172
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 98 y ${ynew}
+set             atom 98 y 8.3680972448736
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2274   -2.9871562   -2.6426885   -2.6341932 
+    2275   -2.9871562   -2.6426885   -2.6165131 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 98 x ${x0}
+set atom 98 x 9.09545654971154
+  1 settings made for x
+set atom $i y ${y0}
+set atom 98 y ${y0}
+set atom 98 y 8.37382508434351
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0324913382529836
+variable        y0 equal ${yi}
+variable        y0 equal 5.50569564049439
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x -0.0266764163971324
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.57652953808503
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2275   -2.9871562   -2.6426885   -2.6165131 
+    2276   -2.9871562   -2.6426885   -2.6354656 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 61 x ${x0}
+set atom 61 x 0.0324913382529836
+  1 settings made for x
+set atom $i y ${y0}
+set atom 61 y ${y0}
+set atom 61 y 5.50569564049439
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1789412740728
+variable        y0 equal ${yi}
+variable        y0 equal 2.78276804658273
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.1949820045492
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.79717249842981
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2276   -2.9871562   -2.6426885   -2.6354656 
+    2277   -2.9871562   -2.6426885   -2.6384679 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.1789412740728
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.78276804658273
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 87
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.20964491128483
+variable        y0 equal ${yi}
+variable        y0 equal 7.4096286090877
+
+set             atom $i x ${xnew}
+set             atom 87 x ${xnew}
+set             atom 87 x 3.21955398082295
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 87 y ${ynew}
+set             atom 87 y 7.40080375995898
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2277   -2.9871562   -2.6426885   -2.6384679 
+    2278   -2.9871562   -2.6426885   -2.6431841 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.64318405115012
+variable naccept equal ${increment}
+variable naccept equal 430
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 17
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.49737423816149
+variable        y0 equal ${yi}
+variable        y0 equal 9.2278668593201
+
+set             atom $i x ${xnew}
+set             atom 17 x ${xnew}
+set             atom 17 x 8.56200896659319
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 17 y ${ynew}
+set             atom 17 y 9.2929022978577
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2278   -2.9871562   -2.6431841   -2.6431841 
+    2279   -2.9871562   -2.6431841   -2.6450092 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.64500919483601
+variable naccept equal ${increment}
+variable naccept equal 431
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.94641846377841
+variable        y0 equal ${yi}
+variable        y0 equal 4.67712874764368
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 6.04491950232974
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.65286417359278
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2279   -2.9871562   -2.6450092   -2.6450092 
+    2280   -2.9871562   -2.6450092   -2.6061872 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 52 x ${x0}
+set atom 52 x 5.94641846377841
+  1 settings made for x
+set atom $i y ${y0}
+set atom 52 y ${y0}
+set atom 52 y 4.67712874764368
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 27
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.18523547410527
+variable        y0 equal ${yi}
+variable        y0 equal 1.96640520474976
+
+set             atom $i x ${xnew}
+set             atom 27 x ${xnew}
+set             atom 27 x 3.26790070294896
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 27 y ${ynew}
+set             atom 27 y 1.87084032676285
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2280   -2.9871562   -2.6450092   -2.6061872 
+    2281   -2.9871562   -2.6450092   -2.6064393 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 27 x ${x0}
+set atom 27 x 3.18523547410527
+  1 settings made for x
+set atom $i y ${y0}
+set atom 27 y ${y0}
+set atom 27 y 1.96640520474976
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 73
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.49922751902657
+variable        y0 equal ${yi}
+variable        y0 equal 5.52039463465411
+
+set             atom $i x ${xnew}
+set             atom 73 x ${xnew}
+set             atom 73 x 6.49270002364235
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 73 y ${ynew}
+set             atom 73 y 5.51694749539096
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2281   -2.9871562   -2.6450092   -2.6064393 
+    2282   -2.9871562   -2.6450092   -2.6445471 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.64454709192047
+variable naccept equal ${increment}
+variable naccept equal 432
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.69106418092681
+variable        y0 equal ${yi}
+variable        y0 equal 0.920749815214004
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.70520672996474
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 1.01218267272743
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2282   -2.9871562   -2.6445471   -2.6445471 
+    2283   -2.9871562   -2.6445471   -2.6362693 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 6 x ${x0}
+set atom 6 x 2.69106418092681
+  1 settings made for x
+set atom $i y ${y0}
+set atom 6 y ${y0}
+set atom 6 y 0.920749815214004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.94641846377841
+variable        y0 equal ${yi}
+variable        y0 equal 4.67712874764368
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 5.91179985959521
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.6605473672764
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2283   -2.9871562   -2.6445471   -2.6362693 
+    2284   -2.9871562   -2.6445471   -2.6411967 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 52 x ${x0}
+set atom 52 x 5.94641846377841
+  1 settings made for x
+set atom $i y ${y0}
+set atom 52 y ${y0}
+set atom 52 y 4.67712874764368
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.82160441517171
+variable        y0 equal ${yi}
+variable        y0 equal 8.38617150701579
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.9014171087676
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.39379937566813
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2284   -2.9871562   -2.6445471   -2.6411967 
+    2285   -2.9871562   -2.6445471   -2.6243639 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 90 x ${x0}
+set atom 90 x 4.82160441517171
+  1 settings made for x
+set atom $i y ${y0}
+set atom 90 y ${y0}
+set atom 90 y 8.38617150701579
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.42922221818829
+variable        y0 equal ${yi}
+variable        y0 equal 3.64031273884904
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.36596104303265
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.57719696326387
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2285   -2.9871562   -2.6445471   -2.6243639 
+    2286   -2.9871562   -2.6445471   -2.5743396 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 51 x ${x0}
+set atom 51 x 5.42922221818829
+  1 settings made for x
+set atom $i y ${y0}
+set atom 51 y ${y0}
+set atom 51 y 3.64031273884904
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 43
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.11356125195676
+variable        y0 equal ${yi}
+variable        y0 equal 3.71681254668367
+
+set             atom $i x ${xnew}
+set             atom 43 x ${xnew}
+set             atom 43 x 1.05011377652341
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 43 y ${ynew}
+set             atom 43 y 3.71356597705019
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2286   -2.9871562   -2.6445471   -2.5743396 
+    2287   -2.9871562   -2.6445471   -2.6432544 
+Loop time of 0.04177 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 43 x ${x0}
+set atom 43 x 1.11356125195676
+  1 settings made for x
+set atom $i y ${y0}
+set atom 43 y ${y0}
+set atom 43 y 3.71681254668367
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 93
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.45546932934839
+variable        y0 equal ${yi}
+variable        y0 equal 7.46753717985414
+
+set             atom $i x ${xnew}
+set             atom 93 x ${xnew}
+set             atom 93 x 6.4858426523121
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 93 y ${ynew}
+set             atom 93 y 7.56322861042283
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2287   -2.9871562   -2.6445471   -2.6432544 
+    2288   -2.9871562   -2.6445471   -2.6092639 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 93 x ${x0}
+set atom 93 x 6.45546932934839
+  1 settings made for x
+set atom $i y ${y0}
+set atom 93 y ${y0}
+set atom 93 y 7.46753717985414
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.16921079794274
+variable        y0 equal ${yi}
+variable        y0 equal 1.86157575032777
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.16208166519509
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.92145010612077
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2288   -2.9871562   -2.6445471   -2.6092639 
+    2289   -2.9871562   -2.6445471   -2.6390355 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.16921079794274
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.86157575032777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.89040735601722
+variable        y0 equal ${yi}
+variable        y0 equal 6.45623155371179
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.89226795076667
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.38869155184259
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2289   -2.9871562   -2.6445471   -2.6390355 
+    2290   -2.9871562   -2.6445471   -2.6295386 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 4.89040735601722
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.45623155371179
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.71316728790235
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.68624610060617
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2290   -2.9871562   -2.6445471   -2.6295386 
+    2291   -2.9871562   -2.6445471   -2.6427901 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.32252682526322
+variable        y0 equal ${yi}
+variable        y0 equal 7.38917808857226
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.29467339594575
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.36059635010028
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2291   -2.9871562   -2.6445471   -2.6427901 
+    2292   -2.9871562   -2.6445471   -2.6380362 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 89 x ${x0}
+set atom 89 x 4.32252682526322
+  1 settings made for x
+set atom $i y ${y0}
+set atom 89 y ${y0}
+set atom 89 y 7.38917808857226
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 23
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.07343188841992
+variable        y0 equal ${yi}
+variable        y0 equal 1.85961672446793
+
+set             atom $i x ${xnew}
+set             atom 23 x ${xnew}
+set             atom 23 x 1.08819289525204
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 23 y ${ynew}
+set             atom 23 y 1.87450131557053
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2292   -2.9871562   -2.6445471   -2.6380362 
+    2293   -2.9871562   -2.6445471    -2.642668 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 23 x ${x0}
+set atom 23 x 1.07343188841992
+  1 settings made for x
+set atom $i y ${y0}
+set atom 23 y ${y0}
+set atom 23 y 1.85961672446793
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 93
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.45546932934839
+variable        y0 equal ${yi}
+variable        y0 equal 7.46753717985414
+
+set             atom $i x ${xnew}
+set             atom 93 x ${xnew}
+set             atom 93 x 6.40300951718408
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 93 y ${ynew}
+set             atom 93 y 7.37146181192659
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2293   -2.9871562   -2.6445471    -2.642668 
+    2294   -2.9871562   -2.6445471   -2.6352622 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 93 x ${x0}
+set atom 93 x 6.45546932934839
+  1 settings made for x
+set atom $i y ${y0}
+set atom 93 y ${y0}
+set atom 93 y 7.46753717985414
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 93
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.45546932934839
+variable        y0 equal ${yi}
+variable        y0 equal 7.46753717985414
+
+set             atom $i x ${xnew}
+set             atom 93 x ${xnew}
+set             atom 93 x 6.44710795401651
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 93 y ${ynew}
+set             atom 93 y 7.41837643709443
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2294   -2.9871562   -2.6445471   -2.6352622 
+    2295   -2.9871562   -2.6445471   -2.6462257 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.64622568175787
+variable naccept equal ${increment}
+variable naccept equal 433
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.40156468867379
+variable        y0 equal ${yi}
+variable        y0 equal 0.00304889678955437
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.4429693770321
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y -0.0132392525672877
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2295   -2.9871562   -2.6462257   -2.6462257 
+    2296   -2.9871562   -2.6462257   -2.6430755 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 13 x ${x0}
+set atom 13 x 6.40156468867379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 13 y ${y0}
+set atom 13 y 0.00304889678955437
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.24420675992527
+variable        y0 equal ${yi}
+variable        y0 equal 3.73567457957399
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.14977384566822
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.66356789631975
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2296   -2.9871562   -2.6462257   -2.6430755 
+    2297   -2.9871562   -2.6462257   -2.5988474 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 47 x ${x0}
+set atom 47 x 3.24420675992527
+  1 settings made for x
+set atom $i y ${y0}
+set atom 47 y ${y0}
+set atom 47 y 3.73567457957399
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.69106418092681
+variable        y0 equal ${yi}
+variable        y0 equal 0.920749815214004
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.71990250547362
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 1.01698329042229
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2297   -2.9871562   -2.6462257   -2.5988474 
+    2298   -2.9871562   -2.6462257   -2.6354486 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 6 x ${x0}
+set atom 6 x 2.69106418092681
+  1 settings made for x
+set atom $i y ${y0}
+set atom 6 y ${y0}
+set atom 6 y 0.920749815214004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.94641846377841
+variable        y0 equal ${yi}
+variable        y0 equal 4.67712874764368
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 5.91362614591113
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.75788418406412
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2298   -2.9871562   -2.6462257   -2.6354486 
+    2299   -2.9871562   -2.6462257   -2.5972976 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 52 x ${x0}
+set atom 52 x 5.94641846377841
+  1 settings made for x
+set atom $i y ${y0}
+set atom 52 y ${y0}
+set atom 52 y 4.67712874764368
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 26
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.65179307659102
+variable        y0 equal ${yi}
+variable        y0 equal 2.85066882344583
+
+set             atom $i x ${xnew}
+set             atom 26 x ${xnew}
+set             atom 26 x 2.6111364503665
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 26 y ${ynew}
+set             atom 26 y 2.81444189521173
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2299   -2.9871562   -2.6462257   -2.5972976 
+    2300   -2.9871562   -2.6462257   -2.6400058 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 26 x ${x0}
+set atom 26 x 2.65179307659102
+  1 settings made for x
+set atom $i y ${y0}
+set atom 26 y ${y0}
+set atom 26 y 2.85066882344583
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.32252682526322
+variable        y0 equal ${yi}
+variable        y0 equal 7.38917808857226
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.31109680016251
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.32593559351229
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2300   -2.9871562   -2.6462257   -2.6400058 
+    2301   -2.9871562   -2.6462257   -2.6294681 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 89 x ${x0}
+set atom 89 x 4.32252682526322
+  1 settings made for x
+set atom $i y ${y0}
+set atom 89 y ${y0}
+set atom 89 y 7.38917808857226
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.26957070906373
+variable        y0 equal ${yi}
+variable        y0 equal 1.93462480685777
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.24231749851914
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.84011848352022
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2301   -2.9871562   -2.6462257   -2.6294681 
+    2302   -2.9871562   -2.6462257   -2.6138171 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.26957070906373
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.93462480685777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.88060106316253
+variable        y0 equal ${yi}
+variable        y0 equal 0.960105260122139
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.78229731598541
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 1.00628933500083
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2302   -2.9871562   -2.6462257   -2.6138171 
+    2303   -2.9871562   -2.6462257   -2.6112613 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 14 x ${x0}
+set atom 14 x 6.88060106316253
+  1 settings made for x
+set atom $i y ${y0}
+set atom 14 y ${y0}
+set atom 14 y 0.960105260122139
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.32301615555497
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.59390474503238
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2303   -2.9871562   -2.6462257   -2.6112613 
+    2304   -2.9871562   -2.6462257   -2.6373713 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.525174053111937
+variable        y0 equal ${yi}
+variable        y0 equal 0.894475575197066
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.54734552661505
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.812884886968459
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2304   -2.9871562   -2.6462257   -2.6373713 
+    2305   -2.9871562   -2.6462257   -2.6288119 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.525174053111937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 0.894475575197066
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 9
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.24272296507568
+variable        y0 equal ${yi}
+variable        y0 equal 0.0256201386451842
+
+set             atom $i x ${xnew}
+set             atom 9 x ${xnew}
+set             atom 9 x 4.25739760477752
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 9 y ${ynew}
+set             atom 9 y 0.0785661339759947
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2305   -2.9871562   -2.6462257   -2.6288119 
+    2306   -2.9871562   -2.6462257   -2.6390722 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 9 x ${x0}
+set atom 9 x 4.24272296507568
+  1 settings made for x
+set atom $i y ${y0}
+set atom 9 y ${y0}
+set atom 9 y 0.0256201386451842
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.00678724327727
+variable        y0 equal ${yi}
+variable        y0 equal 4.66030267828866
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 7.06153705397292
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.60557631606027
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2306   -2.9871562   -2.6462257   -2.6390722 
+    2307   -2.9871562   -2.6462257   -2.6332779 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.00678724327727
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.66030267828866
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.26957070906373
+variable        y0 equal ${yi}
+variable        y0 equal 1.93462480685777
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.29946220000001
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.94335071227617
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2307   -2.9871562   -2.6462257   -2.6332779 
+    2308   -2.9871562   -2.6462257   -2.6451738 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.26957070906373
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.93462480685777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.7447922309093
+variable        y0 equal ${yi}
+variable        y0 equal 1.85953156135149
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x 10.8242043574504
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 1.87989725253649
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2308   -2.9871562   -2.6462257   -2.6451738 
+    2309   -2.9871562   -2.6462257   -2.6293549 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 21 x ${x0}
+set atom 21 x 10.7447922309093
+  1 settings made for x
+set atom $i y ${y0}
+set atom 21 y ${y0}
+set atom 21 y 1.85953156135149
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1789412740728
+variable        y0 equal ${yi}
+variable        y0 equal 2.78276804658273
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.1636192683241
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.70693036290506
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2309   -2.9871562   -2.6462257   -2.6293549 
+    2310   -2.9871562   -2.6462257   -2.6460169 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.64601691110067
+variable naccept equal ${increment}
+variable naccept equal 434
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 7
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.22492432355444
+variable        y0 equal ${yi}
+variable        y0 equal 0.0240613460540867
+
+set             atom $i x ${xnew}
+set             atom 7 x ${xnew}
+set             atom 7 x 3.25235247373144
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 7 y ${ynew}
+set             atom 7 y -0.0323669195175075
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2310   -2.9871562   -2.6460169   -2.6460169 
+    2311   -2.9871562   -2.6460169   -2.6411638 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 7 x ${x0}
+set atom 7 x 3.22492432355444
+  1 settings made for x
+set atom $i y ${y0}
+set atom 7 y ${y0}
+set atom 7 y 0.0240613460540867
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 84
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.63794375538607
+variable        y0 equal ${yi}
+variable        y0 equal 8.371298693791
+
+set             atom $i x ${xnew}
+set             atom 84 x ${xnew}
+set             atom 84 x 1.67578153490801
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 84 y ${ynew}
+set             atom 84 y 8.32772495664653
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2311   -2.9871562   -2.6460169   -2.6411638 
+    2312   -2.9871562   -2.6460169     -2.63842 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 84 x ${x0}
+set atom 84 x 1.63794375538607
+  1 settings made for x
+set atom $i y ${y0}
+set atom 84 y ${y0}
+set atom 84 y 8.371298693791
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.24420675992527
+variable        y0 equal ${yi}
+variable        y0 equal 3.73567457957399
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.1481280064539
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.65371760888231
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2312   -2.9871562   -2.6460169     -2.63842 
+    2313   -2.9871562   -2.6460169   -2.5920899 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 47 x ${x0}
+set atom 47 x 3.24420675992527
+  1 settings made for x
+set atom $i y ${y0}
+set atom 47 y ${y0}
+set atom 47 y 3.73567457957399
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 9
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.24272296507568
+variable        y0 equal ${yi}
+variable        y0 equal 0.0256201386451842
+
+set             atom $i x ${xnew}
+set             atom 9 x ${xnew}
+set             atom 9 x 4.27178276856155
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 9 y ${ynew}
+set             atom 9 y 0.00600513219834582
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2313   -2.9871562   -2.6460169   -2.5920899 
+    2314   -2.9871562   -2.6460169    -2.646375 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.6463750258467
+variable naccept equal ${increment}
+variable naccept equal 435
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80759401837473
+variable        y0 equal ${yi}
+variable        y0 equal 4.6440585290806
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.85395387927179
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.63480998629496
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2314   -2.9871562    -2.646375    -2.646375 
+    2315   -2.9871562    -2.646375   -2.6457898 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 48 x ${x0}
+set atom 48 x 3.80759401837473
+  1 settings made for x
+set atom $i y ${y0}
+set atom 48 y ${y0}
+set atom 48 y 4.6440585290806
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.89040735601722
+variable        y0 equal ${yi}
+variable        y0 equal 6.45623155371179
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.97525910972892
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.40792730585565
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2315   -2.9871562    -2.646375   -2.6457898 
+    2316   -2.9871562    -2.646375   -2.6210654 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 4.89040735601722
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.45623155371179
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.7447922309093
+variable        y0 equal ${yi}
+variable        y0 equal 1.85953156135149
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x 10.7257410605602
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 1.94946087977953
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2316   -2.9871562    -2.646375   -2.6210654 
+    2317   -2.9871562    -2.646375   -2.6107453 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 21 x ${x0}
+set atom 21 x 10.7447922309093
+  1 settings made for x
+set atom $i y ${y0}
+set atom 21 y ${y0}
+set atom 21 y 1.85953156135149
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 19
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.57771970509168
+variable        y0 equal ${yi}
+variable        y0 equal 0.0528771042823788
+
+set             atom $i x ${xnew}
+set             atom 19 x ${xnew}
+set             atom 19 x 9.66068799971219
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 19 y ${ynew}
+set             atom 19 y 0.126740944385528
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2317   -2.9871562    -2.646375   -2.6107453 
+    2318   -2.9871562    -2.646375   -2.6063699 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 19 x ${x0}
+set atom 19 x 9.57771970509168
+  1 settings made for x
+set atom $i y ${y0}
+set atom 19 y ${y0}
+set atom 19 y 0.0528771042823788
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.95025718807079
+variable        y0 equal ${yi}
+variable        y0 equal 0.949378951299518
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 8.0340755283723
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 0.883622177350849
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2318   -2.9871562    -2.646375   -2.6063699 
+    2319   -2.9871562    -2.646375   -2.6234897 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 16 x ${x0}
+set atom 16 x 7.95025718807079
+  1 settings made for x
+set atom $i y ${y0}
+set atom 16 y ${y0}
+set atom 16 y 0.949378951299518
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 10
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.77766234516441
+variable        y0 equal ${yi}
+variable        y0 equal 0.927607925641864
+
+set             atom $i x ${xnew}
+set             atom 10 x ${xnew}
+set             atom 10 x 4.84927204489052
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 10 y ${ynew}
+set             atom 10 y 0.840897198427051
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2319   -2.9871562    -2.646375   -2.6234897 
+    2320   -2.9871562    -2.646375   -2.6082465 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 10 x ${x0}
+set atom 10 x 4.77766234516441
+  1 settings made for x
+set atom $i y ${y0}
+set atom 10 y ${y0}
+set atom 10 y 0.927607925641864
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.11815181096249
+variable        y0 equal ${yi}
+variable        y0 equal 7.44427507248187
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.12605889161282
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.46482060280108
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2320   -2.9871562    -2.646375   -2.6082465 
+    2321   -2.9871562    -2.646375   -2.6453379 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.64533786048785
+variable naccept equal ${increment}
+variable naccept equal 436
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 56
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.10495061277249
+variable        y0 equal ${yi}
+variable        y0 equal 4.66507560366557
+
+set             atom $i x ${xnew}
+set             atom 56 x ${xnew}
+set             atom 56 x 8.08223971723416
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 56 y ${ynew}
+set             atom 56 y 4.64394115561412
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2321   -2.9871562   -2.6453379   -2.6453379 
+    2322   -2.9871562   -2.6453379   -2.6451688 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 56 x ${x0}
+set atom 56 x 8.10495061277249
+  1 settings made for x
+set atom $i y ${y0}
+set atom 56 y ${y0}
+set atom 56 y 4.66507560366557
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.87285548408023
+variable        y0 equal ${yi}
+variable        y0 equal 8.36937119878825
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.94223107058993
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.27615040458735
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2322   -2.9871562   -2.6453379   -2.6451688 
+    2323   -2.9871562   -2.6453379   -2.6317217 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 92 x ${x0}
+set atom 92 x 5.87285548408023
+  1 settings made for x
+set atom $i y ${y0}
+set atom 92 y ${y0}
+set atom 92 y 8.36937119878825
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.81670362273342
+variable        y0 equal ${yi}
+variable        y0 equal 2.85977786752084
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.71673676291591
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.84104822846749
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2323   -2.9871562   -2.6453379   -2.6317217 
+    2324   -2.9871562   -2.6453379   -2.6421499 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.81670362273342
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.85977786752084
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.46753388483297
+variable        y0 equal ${yi}
+variable        y0 equal 0.0335806965827942
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.5055693610407
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y 0.0092600703239441
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2324   -2.9871562   -2.6453379   -2.6421499 
+    2325   -2.9871562   -2.6453379   -2.6459857 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.64598565402484
+variable naccept equal ${increment}
+variable naccept equal 437
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.18122052589761
+variable        y0 equal ${yi}
+variable        y0 equal 7.43532284822726
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.26357651392328
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.39450930681491
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2325   -2.9871562   -2.6459857   -2.6459857 
+    2326   -2.9871562   -2.6459857   -2.6185435 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.18122052589761
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.43532284822726
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 68
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80623258868343
+variable        y0 equal ${yi}
+variable        y0 equal 6.50073292986383
+
+set             atom $i x ${xnew}
+set             atom 68 x ${xnew}
+set             atom 68 x 3.82276965895778
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 68 y ${ynew}
+set             atom 68 y 6.59066712395181
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2326   -2.9871562   -2.6459857   -2.6185435 
+    2327   -2.9871562   -2.6459857   -2.6113951 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 68 x ${x0}
+set atom 68 x 3.80623258868343
+  1 settings made for x
+set atom $i y ${y0}
+set atom 68 y ${y0}
+set atom 68 y 6.50073292986383
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 84
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.63794375538607
+variable        y0 equal ${yi}
+variable        y0 equal 8.371298693791
+
+set             atom $i x ${xnew}
+set             atom 84 x ${xnew}
+set             atom 84 x 1.63685454010744
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 84 y ${ynew}
+set             atom 84 y 8.30789927162227
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2327   -2.9871562   -2.6459857   -2.6113951 
+    2328   -2.9871562   -2.6459857   -2.6340271 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 84 x ${x0}
+set atom 84 x 1.63794375538607
+  1 settings made for x
+set atom $i y ${y0}
+set atom 84 y ${y0}
+set atom 84 y 8.371298693791
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.6009168970563
+variable        y0 equal ${yi}
+variable        y0 equal 0.937610264528124
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.67506554007312
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 1.03333513330254
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2328   -2.9871562   -2.6459857   -2.6340271 
+    2329   -2.9871562   -2.6459857   -2.6139605 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 4 x ${x0}
+set atom 4 x 1.6009168970563
+  1 settings made for x
+set atom $i y ${y0}
+set atom 4 y ${y0}
+set atom 4 y 0.937610264528124
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 67
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.30972831010381
+variable        y0 equal ${yi}
+variable        y0 equal 5.57299091761308
+
+set             atom $i x ${xnew}
+set             atom 67 x ${xnew}
+set             atom 67 x 3.23763067483464
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 67 y ${ynew}
+set             atom 67 y 5.49112038557725
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2329   -2.9871562   -2.6459857   -2.6139605 
+    2330   -2.9871562   -2.6459857   -2.6110838 
+Loop time of 4.3869e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 67 x ${x0}
+set atom 67 x 3.30972831010381
+  1 settings made for x
+set atom $i y ${y0}
+set atom 67 y ${y0}
+set atom 67 y 5.57299091761308
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 66
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74727117021515
+variable        y0 equal ${yi}
+variable        y0 equal 6.50648560062877
+
+set             atom $i x ${xnew}
+set             atom 66 x ${xnew}
+set             atom 66 x 2.81157753665878
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 66 y ${ynew}
+set             atom 66 y 6.42607045904628
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2330   -2.9871562   -2.6459857   -2.6110838 
+    2331   -2.9871562   -2.6459857   -2.6280842 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 66 x ${x0}
+set atom 66 x 2.74727117021515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 66 y ${y0}
+set atom 66 y 6.50648560062877
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.13902074734077
+variable        y0 equal ${yi}
+variable        y0 equal 9.29444277990191
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 2.11897705236778
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y 9.30723684537737
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2331   -2.9871562   -2.6459857   -2.6280842 
+    2332   -2.9871562   -2.6459857   -2.6458603 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 5 x ${x0}
+set atom 5 x 2.13902074734077
+  1 settings made for x
+set atom $i y ${y0}
+set atom 5 y ${y0}
+set atom 5 y 9.29444277990191
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 38
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.09958864171057
+variable        y0 equal ${yi}
+variable        y0 equal 2.75573046180108
+
+set             atom $i x ${xnew}
+set             atom 38 x ${xnew}
+set             atom 38 x 9.11180581767111
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 38 y ${ynew}
+set             atom 38 y 2.79390442344048
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2332   -2.9871562   -2.6459857   -2.6458603 
+    2333   -2.9871562   -2.6459857   -2.6397378 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 38 x ${x0}
+set atom 38 x 9.09958864171057
+  1 settings made for x
+set atom $i y ${y0}
+set atom 38 y ${y0}
+set atom 38 y 2.75573046180108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80759401837473
+variable        y0 equal ${yi}
+variable        y0 equal 4.6440585290806
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.74045794526224
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.59971120709345
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2333   -2.9871562   -2.6459857   -2.6397378 
+    2334   -2.9871562   -2.6459857   -2.6307257 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 48 x ${x0}
+set atom 48 x 3.80759401837473
+  1 settings made for x
+set atom $i y ${y0}
+set atom 48 y ${y0}
+set atom 48 y 4.6440585290806
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.34823718467619
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y 0.0456460475921606
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2334   -2.9871562   -2.6459857   -2.6307257 
+    2335   -2.9871562   -2.6459857    -2.640406 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80759401837473
+variable        y0 equal ${yi}
+variable        y0 equal 4.6440585290806
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.79485161820536
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.69041586274073
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2335   -2.9871562   -2.6459857    -2.640406 
+    2336   -2.9871562   -2.6459857   -2.6365185 
+Loop time of 3.91006e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 48 x ${x0}
+set atom 48 x 3.80759401837473
+  1 settings made for x
+set atom $i y ${y0}
+set atom 48 y ${y0}
+set atom 48 y 4.6440585290806
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.87285548408023
+variable        y0 equal ${yi}
+variable        y0 equal 8.36937119878825
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.79946060140124
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.34389196552333
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2336   -2.9871562   -2.6459857   -2.6365185 
+    2337   -2.9871562   -2.6459857   -2.6276396 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 92 x ${x0}
+set atom 92 x 5.87285548408023
+  1 settings made for x
+set atom $i y ${y0}
+set atom 92 y ${y0}
+set atom 92 y 8.36937119878825
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 60
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.2036228899023
+variable        y0 equal ${yi}
+variable        y0 equal 4.57710585946008
+
+set             atom $i x ${xnew}
+set             atom 60 x ${xnew}
+set             atom 60 x 10.1311788682005
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 60 y ${ynew}
+set             atom 60 y 4.53851076716348
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2337   -2.9871562   -2.6459857   -2.6276396 
+    2338   -2.9871562   -2.6459857   -2.6325435 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 60 x ${x0}
+set atom 60 x 10.2036228899023
+  1 settings made for x
+set atom $i y ${y0}
+set atom 60 y ${y0}
+set atom 60 y 4.57710585946008
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.5878455599004
+variable        y0 equal ${yi}
+variable        y0 equal 9.28117802846759
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x 10.543560357874
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 9.31060505616992
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2338   -2.9871562   -2.6459857   -2.6325435 
+    2339   -2.9871562   -2.6459857   -2.6268203 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 1 x ${x0}
+set atom 1 x 10.5878455599004
+  1 settings made for x
+set atom $i y ${y0}
+set atom 1 y ${y0}
+set atom 1 y 9.28117802846759
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 82
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.480583484569456
+variable        y0 equal ${yi}
+variable        y0 equal 8.38369611419733
+
+set             atom $i x ${xnew}
+set             atom 82 x ${xnew}
+set             atom 82 x 0.400733275810148
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 82 y ${ynew}
+set             atom 82 y 8.30642465271051
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2339   -2.9871562   -2.6459857   -2.6268203 
+    2340   -2.9871562   -2.6459857   -2.6284709 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 82 x ${x0}
+set atom 82 x 0.480583484569456
+  1 settings made for x
+set atom $i y ${y0}
+set atom 82 y ${y0}
+set atom 82 y 8.38369611419733
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 3
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.02897904236965
+variable        y0 equal ${yi}
+variable        y0 equal 9.27259716499179
+
+set             atom $i x ${xnew}
+set             atom 3 x ${xnew}
+set             atom 3 x 1.12366812546902
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 3 y ${ynew}
+set             atom 3 y 9.22856564033359
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2340   -2.9871562   -2.6459857   -2.6284709 
+    2341   -2.9871562   -2.6459857   -2.6311643 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 3 x ${x0}
+set atom 3 x 1.02897904236965
+  1 settings made for x
+set atom $i y ${y0}
+set atom 3 y ${y0}
+set atom 3 y 9.27259716499179
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 49
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.37311956961365
+variable        y0 equal ${yi}
+variable        y0 equal 3.73546738190782
+
+set             atom $i x ${xnew}
+set             atom 49 x ${xnew}
+set             atom 49 x 4.39672677595825
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 49 y ${ynew}
+set             atom 49 y 3.7317367987169
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2341   -2.9871562   -2.6459857   -2.6311643 
+    2342   -2.9871562   -2.6459857   -2.6378138 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 49 x ${x0}
+set atom 49 x 4.37311956961365
+  1 settings made for x
+set atom $i y ${y0}
+set atom 49 y ${y0}
+set atom 49 y 3.73546738190782
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.12605889161282
+variable        y0 equal ${yi}
+variable        y0 equal 7.46482060280108
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.18686254342251
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.51649128523135
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2342   -2.9871562   -2.6459857   -2.6378138 
+    2343   -2.9871562   -2.6459857   -2.6197462 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.12605889161282
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.46482060280108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 12
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.84254707057468
+variable        y0 equal ${yi}
+variable        y0 equal 0.912364717233509
+
+set             atom $i x ${xnew}
+set             atom 12 x ${xnew}
+set             atom 12 x 5.91852093894474
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 12 y ${ynew}
+set             atom 12 y 0.967858119714588
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2343   -2.9871562   -2.6459857   -2.6197462 
+    2344   -2.9871562   -2.6459857   -2.6276471 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 12 x ${x0}
+set atom 12 x 5.84254707057468
+  1 settings made for x
+set atom $i y ${y0}
+set atom 12 y ${y0}
+set atom 12 y 0.912364717233509
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80759401837473
+variable        y0 equal ${yi}
+variable        y0 equal 4.6440585290806
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.86987643757944
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.66939618939325
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2344   -2.9871562   -2.6459857   -2.6276471 
+    2345   -2.9871562   -2.6459857   -2.6392392 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 48 x ${x0}
+set atom 48 x 3.80759401837473
+  1 settings made for x
+set atom $i y ${y0}
+set atom 48 y ${y0}
+set atom 48 y 4.6440585290806
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.98599239308387
+variable        y0 equal ${yi}
+variable        y0 equal 0.925951715219346
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 9.04030754286796
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 0.862876291978684
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2345   -2.9871562   -2.6459857   -2.6392392 
+    2346   -2.9871562   -2.6459857   -2.6325222 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 18 x ${x0}
+set atom 18 x 8.98599239308387
+  1 settings made for x
+set atom $i y ${y0}
+set atom 18 y ${y0}
+set atom 18 y 0.925951715219346
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.64154032667112
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.62388319128915
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2346   -2.9871562   -2.6459857   -2.6325222 
+    2347   -2.9871562   -2.6459857   -2.6257975 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.78497772415113
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.6973466908352
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2347   -2.9871562   -2.6459857   -2.6257975 
+    2348   -2.9871562   -2.6459857   -2.6392583 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.27658920684721
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y -0.0125264883041407
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2348   -2.9871562   -2.6459857   -2.6392583 
+    2349   -2.9871562   -2.6459857   -2.6385229 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 73
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.49270002364235
+variable        y0 equal ${yi}
+variable        y0 equal 5.51694749539096
+
+set             atom $i x ${xnew}
+set             atom 73 x ${xnew}
+set             atom 73 x 6.58564282178002
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 73 y ${ynew}
+set             atom 73 y 5.48841923420627
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2349   -2.9871562   -2.6459857   -2.6385229 
+    2350   -2.9871562   -2.6459857   -2.5860678 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 73 x ${x0}
+set atom 73 x 6.49270002364235
+  1 settings made for x
+set atom $i y ${y0}
+set atom 73 y ${y0}
+set atom 73 y 5.51694749539096
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.94641846377841
+variable        y0 equal ${yi}
+variable        y0 equal 4.67712874764368
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 5.90156124789706
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.71057166212961
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2350   -2.9871562   -2.6459857   -2.5860678 
+    2351   -2.9871562   -2.6459857     -2.62665 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 52 x ${x0}
+set atom 52 x 5.94641846377841
+  1 settings made for x
+set atom $i y ${y0}
+set atom 52 y ${y0}
+set atom 52 y 4.67712874764368
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0324913382529836
+variable        y0 equal ${yi}
+variable        y0 equal 5.50569564049439
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x 0.129562687873803
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.471328591754
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2351   -2.9871562   -2.6459857     -2.62665 
+    2352   -2.9871562   -2.6459857     -2.60492 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 61 x ${x0}
+set atom 61 x 0.0324913382529836
+  1 settings made for x
+set atom $i y ${y0}
+set atom 61 y ${y0}
+set atom 61 y 5.50569564049439
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.40156468867379
+variable        y0 equal ${yi}
+variable        y0 equal 0.00304889678955437
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.42990400313454
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y 0.0225976943969762
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2352   -2.9871562   -2.6459857     -2.60492 
+    2353   -2.9871562   -2.6459857   -2.6440204 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 13 x ${x0}
+set atom 13 x 6.40156468867379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 13 y ${y0}
+set atom 13 y 0.00304889678955437
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.54984512486879
+variable        y0 equal ${yi}
+variable        y0 equal 3.69442252679001
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.52802442470018
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.74067889018189
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2353   -2.9871562   -2.6459857   -2.6440204 
+    2354   -2.9871562   -2.6459857   -2.6403145 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 57 x ${x0}
+set atom 57 x 8.54984512486879
+  1 settings made for x
+set atom $i y ${y0}
+set atom 57 y ${y0}
+set atom 57 y 3.69442252679001
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.89040735601722
+variable        y0 equal ${yi}
+variable        y0 equal 6.45623155371179
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.97621845840751
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.35665388838281
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2354   -2.9871562   -2.6459857   -2.6403145 
+    2355   -2.9871562   -2.6459857   -2.5865288 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 4.89040735601722
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.45623155371179
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1636192683241
+variable        y0 equal ${yi}
+variable        y0 equal 2.70693036290506
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.0923145178816
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.74455177756647
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2355   -2.9871562   -2.6459857   -2.5865288 
+    2356   -2.9871562   -2.6459857   -2.6383978 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.1636192683241
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.70693036290506
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.40156468867379
+variable        y0 equal ${yi}
+variable        y0 equal 0.00304889678955437
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.43167500018197
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y -0.0818755507469141
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2356   -2.9871562   -2.6459857   -2.6383978 
+    2357   -2.9871562   -2.6459857   -2.6371245 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 13 x ${x0}
+set atom 13 x 6.40156468867379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 13 y ${y0}
+set atom 13 y 0.00304889678955437
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 66
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74727117021515
+variable        y0 equal ${yi}
+variable        y0 equal 6.50648560062877
+
+set             atom $i x ${xnew}
+set             atom 66 x ${xnew}
+set             atom 66 x 2.8387743135257
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 66 y ${ynew}
+set             atom 66 y 6.57902196184627
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2357   -2.9871562   -2.6459857   -2.6371245 
+    2358   -2.9871562   -2.6459857   -2.5699955 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 66 x ${x0}
+set atom 66 x 2.74727117021515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 66 y ${y0}
+set atom 66 y 6.50648560062877
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 66
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74727117021515
+variable        y0 equal ${yi}
+variable        y0 equal 6.50648560062877
+
+set             atom $i x ${xnew}
+set             atom 66 x ${xnew}
+set             atom 66 x 2.77271260221436
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 66 y ${ynew}
+set             atom 66 y 6.58536288277141
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2358   -2.9871562   -2.6459857   -2.5699955 
+    2359   -2.9871562   -2.6459857   -2.6074044 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 66 x ${x0}
+set atom 66 x 2.74727117021515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 66 y ${y0}
+set atom 66 y 6.50648560062877
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.40156468867379
+variable        y0 equal ${yi}
+variable        y0 equal 0.00304889678955437
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.44736310957986
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y 0.0558234930038488
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2359   -2.9871562   -2.6459857   -2.6074044 
+    2360   -2.9871562   -2.6459857   -2.6358228 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 13 x ${x0}
+set atom 13 x 6.40156468867379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 13 y ${y0}
+set atom 13 y 0.00304889678955437
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.81670362273342
+variable        y0 equal ${yi}
+variable        y0 equal 2.85977786752084
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.81079958001263
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.88561848374704
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2360   -2.9871562   -2.6459857   -2.6358228 
+    2361   -2.9871562   -2.6459857   -2.6437668 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.81670362273342
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.85977786752084
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 99
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.7112571763861
+variable        y0 equal ${yi}
+variable        y0 equal 7.38156818475986
+
+set             atom $i x ${xnew}
+set             atom 99 x ${xnew}
+set             atom 99 x 9.71944220541595
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 99 y ${ynew}
+set             atom 99 y 7.42350621547962
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2361   -2.9871562   -2.6459857   -2.6437668 
+    2362   -2.9871562   -2.6459857   -2.6406981 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 99 x ${x0}
+set atom 99 x 9.7112571763861
+  1 settings made for x
+set atom $i y ${y0}
+set atom 99 y ${y0}
+set atom 99 y 7.38156818475986
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.56843688645784
+variable        y0 equal ${yi}
+variable        y0 equal 5.60343744700151
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.59574365773622
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.53088903372484
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2362   -2.9871562   -2.6459857   -2.6406981 
+    2363   -2.9871562   -2.6459857   -2.6226863 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 77 x ${x0}
+set atom 77 x 8.56843688645784
+  1 settings made for x
+set atom $i y ${y0}
+set atom 77 y ${y0}
+set atom 77 y 5.60343744700151
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 27
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.18523547410527
+variable        y0 equal ${yi}
+variable        y0 equal 1.96640520474976
+
+set             atom $i x ${xnew}
+set             atom 27 x ${xnew}
+set             atom 27 x 3.2013416862444
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 27 y ${ynew}
+set             atom 27 y 1.98039417645997
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2363   -2.9871562   -2.6459857   -2.6226863 
+    2364   -2.9871562   -2.6459857   -2.6465136 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.64651364960974
+variable naccept equal ${increment}
+variable naccept equal 438
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 50
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.95269535421668
+variable        y0 equal ${yi}
+variable        y0 equal 4.50253551358148
+
+set             atom $i x ${xnew}
+set             atom 50 x ${xnew}
+set             atom 50 x 4.9954027616912
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 50 y ${ynew}
+set             atom 50 y 4.57779587859079
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2364   -2.9871562   -2.6465136   -2.6465136 
+    2365   -2.9871562   -2.6465136   -2.6573687 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.65736872863748
+variable naccept equal ${increment}
+variable naccept equal 439
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.56843688645784
+variable        y0 equal ${yi}
+variable        y0 equal 5.60343744700151
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.4880973950905
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.61973017399507
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2365   -2.9871562   -2.6573687   -2.6573687 
+    2366   -2.9871562   -2.6573687   -2.6362029 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 77 x ${x0}
+set atom 77 x 8.56843688645784
+  1 settings made for x
+set atom $i y ${y0}
+set atom 77 y ${y0}
+set atom 77 y 5.60343744700151
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 93
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.44710795401651
+variable        y0 equal ${yi}
+variable        y0 equal 7.41837643709443
+
+set             atom $i x ${xnew}
+set             atom 93 x ${xnew}
+set             atom 93 x 6.41459513424951
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 93 y ${ynew}
+set             atom 93 y 7.45672734108232
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2366   -2.9871562   -2.6573687   -2.6362029 
+    2367   -2.9871562   -2.6573687    -2.656008 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 93 x ${x0}
+set atom 93 x 6.44710795401651
+  1 settings made for x
+set atom $i y ${y0}
+set atom 93 y ${y0}
+set atom 93 y 7.41837643709443
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 27
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.2013416862444
+variable        y0 equal ${yi}
+variable        y0 equal 1.98039417645997
+
+set             atom $i x ${xnew}
+set             atom 27 x ${xnew}
+set             atom 27 x 3.18287575006047
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 27 y ${ynew}
+set             atom 27 y 2.07858885905808
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2367   -2.9871562   -2.6573687    -2.656008 
+    2368   -2.9871562   -2.6573687   -2.6168983 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 27 x ${x0}
+set atom 27 x 3.2013416862444
+  1 settings made for x
+set atom $i y ${y0}
+set atom 27 y ${y0}
+set atom 27 y 1.98039417645997
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 7
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.22492432355444
+variable        y0 equal ${yi}
+variable        y0 equal 0.0240613460540867
+
+set             atom $i x ${xnew}
+set             atom 7 x ${xnew}
+set             atom 7 x 3.20137036799948
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 7 y ${ynew}
+set             atom 7 y -0.00622136592864035
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2368   -2.9871562   -2.6573687   -2.6168983 
+    2369   -2.9871562   -2.6573687   -2.6565642 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 7 x ${x0}
+set atom 7 x 3.22492432355444
+  1 settings made for x
+set atom $i y ${y0}
+set atom 7 y ${y0}
+set atom 7 y 0.0240613460540867
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 8
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.72890197554714
+variable        y0 equal ${yi}
+variable        y0 equal 1.0604893166903
+
+set             atom $i x ${xnew}
+set             atom 8 x ${xnew}
+set             atom 8 x 3.6671127251733
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 8 y ${ynew}
+set             atom 8 y 1.12907954047952
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2369   -2.9871562   -2.6573687   -2.6565642 
+    2370   -2.9871562   -2.6573687   -2.6274743 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 8 x ${x0}
+set atom 8 x 3.72890197554714
+  1 settings made for x
+set atom $i y ${y0}
+set atom 8 y ${y0}
+set atom 8 y 1.0604893166903
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.29028950968
+variable        y0 equal ${yi}
+variable        y0 equal 6.46599212423793
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.2889763001463
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.52189012304774
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2370   -2.9871562   -2.6573687   -2.6274743 
+    2371   -2.9871562   -2.6573687    -2.650477 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 80 x ${x0}
+set atom 80 x 10.29028950968
+  1 settings made for x
+set atom $i y ${y0}
+set atom 80 y ${y0}
+set atom 80 y 6.46599212423793
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 76
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.11976422666408
+variable        y0 equal ${yi}
+variable        y0 equal 6.57524594799509
+
+set             atom $i x ${xnew}
+set             atom 76 x ${xnew}
+set             atom 76 x 8.20573648809291
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 76 y ${ynew}
+set             atom 76 y 6.60633873478403
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2371   -2.9871562   -2.6573687    -2.650477 
+    2372   -2.9871562   -2.6573687   -2.5853967 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 76 x ${x0}
+set atom 76 x 8.11976422666408
+  1 settings made for x
+set atom $i y ${y0}
+set atom 76 y ${y0}
+set atom 76 y 6.57524594799509
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 36
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.01815503238536
+variable        y0 equal ${yi}
+variable        y0 equal 2.72729808064798
+
+set             atom $i x ${xnew}
+set             atom 36 x ${xnew}
+set             atom 36 x 8.05603994726039
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 36 y ${ynew}
+set             atom 36 y 2.70463098260263
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2372   -2.9871562   -2.6573687   -2.5853967 
+    2373   -2.9871562   -2.6573687   -2.6480884 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 36 x ${x0}
+set atom 36 x 8.01815503238536
+  1 settings made for x
+set atom $i y ${y0}
+set atom 36 y ${y0}
+set atom 36 y 2.72729808064798
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 49
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.37311956961365
+variable        y0 equal ${yi}
+variable        y0 equal 3.73546738190782
+
+set             atom $i x ${xnew}
+set             atom 49 x ${xnew}
+set             atom 49 x 4.3011417873642
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 49 y ${ynew}
+set             atom 49 y 3.82676342291963
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2373   -2.9871562   -2.6573687   -2.6480884 
+    2374   -2.9871562   -2.6573687   -2.6343512 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 49 x ${x0}
+set atom 49 x 4.37311956961365
+  1 settings made for x
+set atom $i y ${y0}
+set atom 49 y ${y0}
+set atom 49 y 3.73546738190782
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 19
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.57771970509168
+variable        y0 equal ${yi}
+variable        y0 equal 0.0528771042823788
+
+set             atom $i x ${xnew}
+set             atom 19 x ${xnew}
+set             atom 19 x 9.6282262730467
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 19 y ${ynew}
+set             atom 19 y 0.107169592380523
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2374   -2.9871562   -2.6573687   -2.6343512 
+    2375   -2.9871562   -2.6573687   -2.6414382 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 19 x ${x0}
+set atom 19 x 9.57771970509168
+  1 settings made for x
+set atom $i y ${y0}
+set atom 19 y ${y0}
+set atom 19 y 0.0528771042823788
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 17
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.56200896659319
+variable        y0 equal ${yi}
+variable        y0 equal 9.2929022978577
+
+set             atom $i x ${xnew}
+set             atom 17 x ${xnew}
+set             atom 17 x 8.5712285534424
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 17 y ${ynew}
+set             atom 17 y 9.33846748578876
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2375   -2.9871562   -2.6573687   -2.6414382 
+    2376   -2.9871562   -2.6573687   -2.6476031 
+Loop time of 5.98431e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 17 x ${x0}
+set atom 17 x 8.56200896659319
+  1 settings made for x
+set atom $i y ${y0}
+set atom 17 y ${y0}
+set atom 17 y 9.2929022978577
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.69106418092681
+variable        y0 equal ${yi}
+variable        y0 equal 0.920749815214004
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.6376605768962
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 0.944219728219833
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2376   -2.9871562   -2.6573687   -2.6476031 
+    2377   -2.9871562   -2.6573687    -2.655172 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 6 x ${x0}
+set atom 6 x 2.69106418092681
+  1 settings made for x
+set atom $i y ${y0}
+set atom 6 y ${y0}
+set atom 6 y 0.920749815214004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 50
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.9954027616912
+variable        y0 equal ${yi}
+variable        y0 equal 4.57779587859079
+
+set             atom $i x ${xnew}
+set             atom 50 x ${xnew}
+set             atom 50 x 4.95790398954688
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 50 y ${ynew}
+set             atom 50 y 4.55875416153833
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2377   -2.9871562   -2.6573687    -2.655172 
+    2378   -2.9871562   -2.6573687   -2.6690997 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.66909970878309
+variable naccept equal ${increment}
+variable naccept equal 440
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 43
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.11356125195676
+variable        y0 equal ${yi}
+variable        y0 equal 3.71681254668367
+
+set             atom $i x ${xnew}
+set             atom 43 x ${xnew}
+set             atom 43 x 1.06372391303235
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 43 y ${ynew}
+set             atom 43 y 3.72807768149507
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2378   -2.9871562   -2.6690997   -2.6690997 
+    2379   -2.9871562   -2.6690997   -2.6681214 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 43 x ${x0}
+set atom 43 x 1.11356125195676
+  1 settings made for x
+set atom $i y ${y0}
+set atom 43 y ${y0}
+set atom 43 y 3.71681254668367
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.19388546387063
+variable        y0 equal ${yi}
+variable        y0 equal 3.77270575328004
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.15111996570931
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.81003410382402
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2379   -2.9871562   -2.6690997   -2.6681214 
+    2380   -2.9871562   -2.6690997   -2.6683754 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 45 x ${x0}
+set atom 45 x 2.19388546387063
+  1 settings made for x
+set atom $i y ${y0}
+set atom 45 y ${y0}
+set atom 45 y 3.77270575328004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 10
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.77766234516441
+variable        y0 equal ${yi}
+variable        y0 equal 0.927607925641864
+
+set             atom $i x ${xnew}
+set             atom 10 x ${xnew}
+set             atom 10 x 4.67853731750786
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 10 y ${ynew}
+set             atom 10 y 0.947497435319751
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2380   -2.9871562   -2.6690997   -2.6683754 
+    2381   -2.9871562   -2.6690997   -2.6449632 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 10 x ${x0}
+set atom 10 x 4.77766234516441
+  1 settings made for x
+set atom $i y ${y0}
+set atom 10 y ${y0}
+set atom 10 y 0.927607925641864
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 93
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.44710795401651
+variable        y0 equal ${yi}
+variable        y0 equal 7.41837643709443
+
+set             atom $i x ${xnew}
+set             atom 93 x ${xnew}
+set             atom 93 x 6.41071300028879
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 93 y ${ynew}
+set             atom 93 y 7.4550809296634
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2381   -2.9871562   -2.6690997   -2.6449632 
+    2382   -2.9871562   -2.6690997   -2.6674361 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 93 x ${x0}
+set atom 93 x 6.44710795401651
+  1 settings made for x
+set atom $i y ${y0}
+set atom 93 y ${y0}
+set atom 93 y 7.41837643709443
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.41745940843489
+variable        y0 equal ${yi}
+variable        y0 equal 5.54884942715364
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.49235073724654
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.56695841496187
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2382   -2.9871562   -2.6690997   -2.6674361 
+    2383   -2.9871562   -2.6690997   -2.6567097 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 71 x ${x0}
+set atom 71 x 5.41745940843489
+  1 settings made for x
+set atom $i y ${y0}
+set atom 71 y ${y0}
+set atom 71 y 5.54884942715364
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.98550258834353
+variable        y0 equal ${yi}
+variable        y0 equal 6.47227353588572
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 6.05801051814547
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.4674696399354
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2383   -2.9871562   -2.6690997   -2.6567097 
+    2384   -2.9871562   -2.6690997   -2.6529987 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 72 x ${x0}
+set atom 72 x 5.98550258834353
+  1 settings made for x
+set atom $i y ${y0}
+set atom 72 y ${y0}
+set atom 72 y 6.47227353588572
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.69106418092681
+variable        y0 equal ${yi}
+variable        y0 equal 0.920749815214004
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.62602374751998
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 0.876110966909255
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2384   -2.9871562   -2.6690997   -2.6529987 
+    2385   -2.9871562   -2.6690997   -2.6590791 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 6 x ${x0}
+set atom 6 x 2.69106418092681
+  1 settings made for x
+set atom $i y ${y0}
+set atom 6 y ${y0}
+set atom 6 y 0.920749815214004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.88060106316253
+variable        y0 equal ${yi}
+variable        y0 equal 0.960105260122139
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.92987251558944
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 0.965486224401314
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2385   -2.9871562   -2.6690997   -2.6590791 
+    2386   -2.9871562   -2.6690997    -2.664864 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 14 x ${x0}
+set atom 14 x 6.88060106316253
+  1 settings made for x
+set atom $i y ${y0}
+set atom 14 y ${y0}
+set atom 14 y 0.960105260122139
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.32252682526322
+variable        y0 equal ${yi}
+variable        y0 equal 7.38917808857226
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.3978435405037
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.42443825330996
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2386   -2.9871562   -2.6690997    -2.664864 
+    2387   -2.9871562   -2.6690997   -2.6522893 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 89 x ${x0}
+set atom 89 x 4.32252682526322
+  1 settings made for x
+set atom $i y ${y0}
+set atom 89 y ${y0}
+set atom 89 y 7.38917808857226
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.57288145302412
+variable        y0 equal ${yi}
+variable        y0 equal 3.68945432467593
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.62788166283247
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.76814270777835
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2387   -2.9871562   -2.6690997   -2.6522893 
+    2388   -2.9871562   -2.6690997   -2.6633005 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 59 x ${x0}
+set atom 59 x 9.57288145302412
+  1 settings made for x
+set atom $i y ${y0}
+set atom 59 y ${y0}
+set atom 59 y 3.68945432467593
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 73
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.49270002364235
+variable        y0 equal ${yi}
+variable        y0 equal 5.51694749539096
+
+set             atom $i x ${xnew}
+set             atom 73 x ${xnew}
+set             atom 73 x 6.57229405163841
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 73 y ${ynew}
+set             atom 73 y 5.50351933186252
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2388   -2.9871562   -2.6690997   -2.6633005 
+    2389   -2.9871562   -2.6690997   -2.6312089 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 73 x ${x0}
+set atom 73 x 6.49270002364235
+  1 settings made for x
+set atom $i y ${y0}
+set atom 73 y ${y0}
+set atom 73 y 5.51694749539096
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.525174053111937
+variable        y0 equal ${yi}
+variable        y0 equal 0.894475575197066
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.462958796420958
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.821414681184615
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2389   -2.9871562   -2.6690997   -2.6312089 
+    2390   -2.9871562   -2.6690997   -2.6595495 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.525174053111937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 0.894475575197066
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1851203922291
+variable        y0 equal ${yi}
+variable        y0 equal 0.955667336690753
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.2833203677197
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 0.968818529355853
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2390   -2.9871562   -2.6690997   -2.6595495 
+    2391   -2.9871562   -2.6690997   -2.6477464 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 20 x ${x0}
+set atom 20 x 10.1851203922291
+  1 settings made for x
+set atom $i y ${y0}
+set atom 20 y ${y0}
+set atom 20 y 0.955667336690753
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.83408757646513
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.72791191691323
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2391   -2.9871562   -2.6690997   -2.6477464 
+    2392   -2.9871562   -2.6690997   -2.6367534 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 62
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.654104717174436
+variable        y0 equal ${yi}
+variable        y0 equal 6.49111358658304
+
+set             atom $i x ${xnew}
+set             atom 62 x ${xnew}
+set             atom 62 x 0.574255783954526
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 62 y ${ynew}
+set             atom 62 y 6.40221397415628
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2392   -2.9871562   -2.6690997   -2.6367534 
+    2393   -2.9871562   -2.6690997   -2.6553748 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 62 x ${x0}
+set atom 62 x 0.654104717174436
+  1 settings made for x
+set atom $i y ${y0}
+set atom 62 y ${y0}
+set atom 62 y 6.49111358658304
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.24420675992527
+variable        y0 equal ${yi}
+variable        y0 equal 3.73567457957399
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.32150743960896
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.70044717354906
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2393   -2.9871562   -2.6690997   -2.6553748 
+    2394   -2.9871562   -2.6690997   -2.6561567 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 47 x ${x0}
+set atom 47 x 3.24420675992527
+  1 settings made for x
+set atom $i y ${y0}
+set atom 47 y ${y0}
+set atom 47 y 3.73567457957399
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.18122052589761
+variable        y0 equal ${yi}
+variable        y0 equal 7.43532284822726
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.23746758142816
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.48196691599154
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2394   -2.9871562   -2.6690997   -2.6561567 
+    2395   -2.9871562   -2.6690997   -2.6534504 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.18122052589761
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.43532284822726
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1636192683241
+variable        y0 equal ${yi}
+variable        y0 equal 2.70693036290506
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.1097630504629
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.73196680518488
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2395   -2.9871562   -2.6690997   -2.6534504 
+    2396   -2.9871562   -2.6690997   -2.6658108 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.1636192683241
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.70693036290506
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.42922221818829
+variable        y0 equal ${yi}
+variable        y0 equal 3.64031273884904
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.37591991821194
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.72536636157167
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2396   -2.9871562   -2.6690997   -2.6658108 
+    2397   -2.9871562   -2.6690997   -2.6528619 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 51 x ${x0}
+set atom 51 x 5.42922221818829
+  1 settings made for x
+set atom $i y ${y0}
+set atom 51 y ${y0}
+set atom 51 y 3.64031273884904
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.52396155435811
+variable        y0 equal ${yi}
+variable        y0 equal 3.76348131461275
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.58161339599858
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.78095641894472
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2397   -2.9871562   -2.6690997   -2.6528619 
+    2398   -2.9871562   -2.6690997   -2.6551653 
+Loop time of 8.29697e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 55 x ${x0}
+set atom 55 x 7.52396155435811
+  1 settings made for x
+set atom $i y ${y0}
+set atom 55 y ${y0}
+set atom 55 y 3.76348131461275
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 60
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.2036228899023
+variable        y0 equal ${yi}
+variable        y0 equal 4.57710585946008
+
+set             atom $i x ${xnew}
+set             atom 60 x ${xnew}
+set             atom 60 x 10.1047366384527
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 60 y ${ynew}
+set             atom 60 y 4.54019505137369
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2398   -2.9871562   -2.6690997   -2.6551653 
+    2399   -2.9871562   -2.6690997   -2.6443875 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 60 x ${x0}
+set atom 60 x 10.2036228899023
+  1 settings made for x
+set atom $i y ${y0}
+set atom 60 y ${y0}
+set atom 60 y 4.57710585946008
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 9
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.27178276856155
+variable        y0 equal ${yi}
+variable        y0 equal 0.00600513219834582
+
+set             atom $i x ${xnew}
+set             atom 9 x ${xnew}
+set             atom 9 x 4.18710436899871
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 9 y ${ynew}
+set             atom 9 y -0.0675657153129457
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2399   -2.9871562   -2.6690997   -2.6443875 
+    2400   -2.9871562   -2.6690997    -2.646351 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 9 x ${x0}
+set atom 9 x 4.27178276856155
+  1 settings made for x
+set atom $i y ${y0}
+set atom 9 y ${y0}
+set atom 9 y 0.00600513219834582
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 86
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.71264111001922
+variable        y0 equal ${yi}
+variable        y0 equal 8.37165092147884
+
+set             atom $i x ${xnew}
+set             atom 86 x ${xnew}
+set             atom 86 x 2.68428162534667
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 86 y ${ynew}
+set             atom 86 y 8.41572124876079
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2400   -2.9871562   -2.6690997    -2.646351 
+    2401   -2.9871562   -2.6690997   -2.6644108 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 86 x ${x0}
+set atom 86 x 2.71264111001922
+  1 settings made for x
+set atom $i y ${y0}
+set atom 86 y ${y0}
+set atom 86 y 8.37165092147884
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.54984512486879
+variable        y0 equal ${yi}
+variable        y0 equal 3.69442252679001
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.51606408515398
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.63436256213318
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2401   -2.9871562   -2.6690997   -2.6644108 
+    2402   -2.9871562   -2.6690997    -2.662009 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 57 x ${x0}
+set atom 57 x 8.54984512486879
+  1 settings made for x
+set atom $i y ${y0}
+set atom 57 y ${y0}
+set atom 57 y 3.69442252679001
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.29028950968
+variable        y0 equal ${yi}
+variable        y0 equal 6.46599212423793
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.2989817146322
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.54317707554332
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2402   -2.9871562   -2.6690997    -2.662009 
+    2403   -2.9871562   -2.6690997   -2.6532752 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 80 x ${x0}
+set atom 80 x 10.29028950968
+  1 settings made for x
+set atom $i y ${y0}
+set atom 80 y ${y0}
+set atom 80 y 6.46599212423793
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.52396155435811
+variable        y0 equal ${yi}
+variable        y0 equal 3.76348131461275
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.59115655262242
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.72282788319719
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2403   -2.9871562   -2.6690997   -2.6532752 
+    2404   -2.9871562   -2.6690997   -2.6543774 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 55 x ${x0}
+set atom 55 x 7.52396155435811
+  1 settings made for x
+set atom $i y ${y0}
+set atom 55 y ${y0}
+set atom 55 y 3.76348131461275
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.42922221818829
+variable        y0 equal ${yi}
+variable        y0 equal 3.64031273884904
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.3681806007948
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.70773236317765
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2404   -2.9871562   -2.6690997   -2.6543774 
+    2405   -2.9871562   -2.6690997   -2.6567295 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 51 x ${x0}
+set atom 51 x 5.42922221818829
+  1 settings made for x
+set atom $i y ${y0}
+set atom 51 y ${y0}
+set atom 51 y 3.64031273884904
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.81670362273342
+variable        y0 equal ${yi}
+variable        y0 equal 2.85977786752084
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.87888618031628
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.84395996304849
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2405   -2.9871562   -2.6690997   -2.6567295 
+    2406   -2.9871562   -2.6690997   -2.6519212 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.81670362273342
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.85977786752084
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.6009168970563
+variable        y0 equal ${yi}
+variable        y0 equal 0.937610264528124
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.57476761221667
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 0.954603274572222
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2406   -2.9871562   -2.6690997   -2.6519212 
+    2407   -2.9871562   -2.6690997   -2.6658578 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 4 x ${x0}
+set atom 4 x 1.6009168970563
+  1 settings made for x
+set atom $i y ${y0}
+set atom 4 y ${y0}
+set atom 4 y 0.937610264528124
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.00678724327727
+variable        y0 equal ${yi}
+variable        y0 equal 4.66030267828866
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 7.05109598913832
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.62569097632333
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2407   -2.9871562   -2.6690997   -2.6658578 
+    2408   -2.9871562   -2.6690997   -2.6659636 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.00678724327727
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.66030267828866
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.32252682526322
+variable        y0 equal ${yi}
+variable        y0 equal 7.38917808857226
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.24462784607621
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.32568568315768
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2408   -2.9871562   -2.6690997   -2.6659636 
+    2409   -2.9871562   -2.6690997   -2.6318143 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 89 x ${x0}
+set atom 89 x 4.32252682526322
+  1 settings made for x
+set atom $i y ${y0}
+set atom 89 y ${y0}
+set atom 89 y 7.38917808857226
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.18122052589761
+variable        y0 equal ${yi}
+variable        y0 equal 7.43532284822726
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.14120897690164
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.45655035105014
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2409   -2.9871562   -2.6690997   -2.6318143 
+    2410   -2.9871562   -2.6690997   -2.6652599 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.18122052589761
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.43532284822726
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 98
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.09545654971154
+variable        y0 equal ${yi}
+variable        y0 equal 8.37382508434351
+
+set             atom $i x ${xnew}
+set             atom 98 x ${xnew}
+set             atom 98 x 9.12435003239663
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 98 y ${ynew}
+set             atom 98 y 8.34361114419992
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2410   -2.9871562   -2.6690997   -2.6652599 
+    2411   -2.9871562   -2.6690997   -2.6675062 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 98 x ${x0}
+set atom 98 x 9.09545654971154
+  1 settings made for x
+set atom $i y ${y0}
+set atom 98 y ${y0}
+set atom 98 y 8.37382508434351
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 35
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.41105691034568
+variable        y0 equal ${yi}
+variable        y0 equal 1.86285059831208
+
+set             atom $i x ${xnew}
+set             atom 35 x ${xnew}
+set             atom 35 x 7.39585532982124
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 35 y ${ynew}
+set             atom 35 y 1.91880389831132
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2411   -2.9871562   -2.6690997   -2.6675062 
+    2412   -2.9871562   -2.6690997   -2.6605304 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 35 x ${x0}
+set atom 35 x 7.41105691034568
+  1 settings made for x
+set atom $i y ${y0}
+set atom 35 y ${y0}
+set atom 35 y 1.86285059831208
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.89040735601722
+variable        y0 equal ${yi}
+variable        y0 equal 6.45623155371179
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.8763818585807
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.43000182644357
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2412   -2.9871562   -2.6690997   -2.6605304 
+    2413   -2.9871562   -2.6690997   -2.6661842 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 4.89040735601722
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.45623155371179
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0324913382529836
+variable        y0 equal ${yi}
+variable        y0 equal 5.50569564049439
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x 0.0873793363570791
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.5794189924498
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2413   -2.9871562   -2.6690997   -2.6661842 
+    2414   -2.9871562   -2.6690997   -2.6615057 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 61 x ${x0}
+set atom 61 x 0.0324913382529836
+  1 settings made for x
+set atom $i y ${y0}
+set atom 61 y ${y0}
+set atom 61 y 5.50569564049439
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.4643855285557
+variable        y0 equal ${yi}
+variable        y0 equal 3.79889360232483
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.36869368075449
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.88635060353409
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2414   -2.9871562   -2.6690997   -2.6615057 
+    2415   -2.9871562   -2.6690997   -2.5746572 
+Loop time of 7.79629e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 53 x ${x0}
+set atom 53 x 6.4643855285557
+  1 settings made for x
+set atom $i y ${y0}
+set atom 53 y ${y0}
+set atom 53 y 3.79889360232483
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.42922221818829
+variable        y0 equal ${yi}
+variable        y0 equal 3.64031273884904
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.45191831985379
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.61818509860169
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2415   -2.9871562   -2.6690997   -2.5746572 
+    2416   -2.9871562   -2.6690997   -2.6532307 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 51 x ${x0}
+set atom 51 x 5.42922221818829
+  1 settings made for x
+set atom $i y ${y0}
+set atom 51 y ${y0}
+set atom 51 y 3.64031273884904
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.19388546387063
+variable        y0 equal ${yi}
+variable        y0 equal 3.77270575328004
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.14295520225869
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.86383654637467
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2416   -2.9871562   -2.6690997   -2.6532307 
+    2417   -2.9871562   -2.6690997   -2.6530466 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 45 x ${x0}
+set atom 45 x 2.19388546387063
+  1 settings made for x
+set atom $i y ${y0}
+set atom 45 y ${y0}
+set atom 45 y 3.77270575328004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 23
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.07343188841992
+variable        y0 equal ${yi}
+variable        y0 equal 1.85961672446793
+
+set             atom $i x ${xnew}
+set             atom 23 x ${xnew}
+set             atom 23 x 1.16478169282132
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 23 y ${ynew}
+set             atom 23 y 1.83499623916214
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2417   -2.9871562   -2.6690997   -2.6530466 
+    2418   -2.9871562   -2.6690997   -2.6520502 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 23 x ${x0}
+set atom 23 x 1.07343188841992
+  1 settings made for x
+set atom $i y ${y0}
+set atom 23 y ${y0}
+set atom 23 y 1.85961672446793
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.18122052589761
+variable        y0 equal ${yi}
+variable        y0 equal 7.43532284822726
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.08701726833688
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.4857302459743
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2418   -2.9871562   -2.6690997   -2.6520502 
+    2419   -2.9871562   -2.6690997   -2.6400584 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.18122052589761
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.43532284822726
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 36
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.01815503238536
+variable        y0 equal ${yi}
+variable        y0 equal 2.72729808064798
+
+set             atom $i x ${xnew}
+set             atom 36 x ${xnew}
+set             atom 36 x 7.92535349725581
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 36 y ${ynew}
+set             atom 36 y 2.67668384286264
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2419   -2.9871562   -2.6690997   -2.6400584 
+    2420   -2.9871562   -2.6690997   -2.6225211 
+Loop time of 6.00815e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 36 x ${x0}
+set atom 36 x 8.01815503238536
+  1 settings made for x
+set atom $i y ${y0}
+set atom 36 y ${y0}
+set atom 36 y 2.72729808064798
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 60
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.2036228899023
+variable        y0 equal ${yi}
+variable        y0 equal 4.57710585946008
+
+set             atom $i x ${xnew}
+set             atom 60 x ${xnew}
+set             atom 60 x 10.228128111746
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 60 y ${ynew}
+set             atom 60 y 4.49085599535867
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2420   -2.9871562   -2.6690997   -2.6225211 
+    2421   -2.9871562   -2.6690997   -2.6427641 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 60 x ${x0}
+set atom 60 x 10.2036228899023
+  1 settings made for x
+set atom $i y ${y0}
+set atom 60 y ${y0}
+set atom 60 y 4.57710585946008
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.68984863638659
+variable        y0 equal ${yi}
+variable        y0 equal 6.46641751066677
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.70608236670275
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.38719476000301
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2421   -2.9871562   -2.6690997   -2.6427641 
+    2422   -2.9871562   -2.6690997   -2.6483513 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.68984863638659
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.46641751066677
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 10
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.77766234516441
+variable        y0 equal ${yi}
+variable        y0 equal 0.927607925641864
+
+set             atom $i x ${xnew}
+set             atom 10 x ${xnew}
+set             atom 10 x 4.78433811306297
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 10 y ${ynew}
+set             atom 10 y 1.00741346668038
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2422   -2.9871562   -2.6690997   -2.6483513 
+    2423   -2.9871562   -2.6690997   -2.6590725 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 10 x ${x0}
+set atom 10 x 4.77766234516441
+  1 settings made for x
+set atom $i y ${y0}
+set atom 10 y ${y0}
+set atom 10 y 0.927607925641864
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 84
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.63794375538607
+variable        y0 equal ${yi}
+variable        y0 equal 8.371298693791
+
+set             atom $i x ${xnew}
+set             atom 84 x ${xnew}
+set             atom 84 x 1.71056198954363
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 84 y ${ynew}
+set             atom 84 y 8.31191067613658
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2423   -2.9871562   -2.6690997   -2.6590725 
+    2424   -2.9871562   -2.6690997   -2.6487104 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 84 x ${x0}
+set atom 84 x 1.63794375538607
+  1 settings made for x
+set atom $i y ${y0}
+set atom 84 y ${y0}
+set atom 84 y 8.371298693791
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 84
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.63794375538607
+variable        y0 equal ${yi}
+variable        y0 equal 8.371298693791
+
+set             atom $i x ${xnew}
+set             atom 84 x ${xnew}
+set             atom 84 x 1.64166227459689
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 84 y ${ynew}
+set             atom 84 y 8.40684249319133
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2424   -2.9871562   -2.6690997   -2.6487104 
+    2425   -2.9871562   -2.6690997   -2.6665549 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 84 x ${x0}
+set atom 84 x 1.63794375538607
+  1 settings made for x
+set atom $i y ${y0}
+set atom 84 y ${y0}
+set atom 84 y 8.371298693791
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.57288145302412
+variable        y0 equal ${yi}
+variable        y0 equal 3.68945432467593
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.52753470419523
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.74228307767047
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2425   -2.9871562   -2.6690997   -2.6665549 
+    2426   -2.9871562   -2.6690997   -2.6567992 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 59 x ${x0}
+set atom 59 x 9.57288145302412
+  1 settings made for x
+set atom $i y ${y0}
+set atom 59 y ${y0}
+set atom 59 y 3.68945432467593
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 38
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.09958864171057
+variable        y0 equal ${yi}
+variable        y0 equal 2.75573046180108
+
+set             atom $i x ${xnew}
+set             atom 38 x ${xnew}
+set             atom 38 x 9.14239051062613
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 38 y ${ynew}
+set             atom 38 y 2.80157202454903
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2426   -2.9871562   -2.6690997   -2.6567992 
+    2427   -2.9871562   -2.6690997   -2.6545743 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 38 x ${x0}
+set atom 38 x 9.09958864171057
+  1 settings made for x
+set atom $i y ${y0}
+set atom 38 y ${y0}
+set atom 38 y 2.75573046180108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 37
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.45325187602465
+variable        y0 equal ${yi}
+variable        y0 equal 1.81180926940507
+
+set             atom $i x ${xnew}
+set             atom 37 x ${xnew}
+set             atom 37 x 8.50780906835024
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 37 y ${ynew}
+set             atom 37 y 1.87973840615815
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2427   -2.9871562   -2.6690997   -2.6545743 
+    2428   -2.9871562   -2.6690997   -2.6729801 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.67298006464133
+variable naccept equal ${increment}
+variable naccept equal 441
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.52396155435811
+variable        y0 equal ${yi}
+variable        y0 equal 3.76348131461275
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.6178116782404
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.72792121930254
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2428   -2.9871562   -2.6729801   -2.6729801 
+    2429   -2.9871562   -2.6729801    -2.640504 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 55 x ${x0}
+set atom 55 x 7.52396155435811
+  1 settings made for x
+set atom $i y ${y0}
+set atom 55 y ${y0}
+set atom 55 y 3.76348131461275
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 9
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.27178276856155
+variable        y0 equal ${yi}
+variable        y0 equal 0.00600513219834582
+
+set             atom $i x ${xnew}
+set             atom 9 x ${xnew}
+set             atom 9 x 4.3109632023117
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 9 y ${ynew}
+set             atom 9 y 0.0800031304359557
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2429   -2.9871562   -2.6729801    -2.640504 
+    2430   -2.9871562   -2.6729801   -2.6518772 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 9 x ${x0}
+set atom 9 x 4.27178276856155
+  1 settings made for x
+set atom $i y ${y0}
+set atom 9 y ${y0}
+set atom 9 y 0.00600513219834582
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.24420675992527
+variable        y0 equal ${yi}
+variable        y0 equal 3.73567457957399
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.30029886722126
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.63569141192567
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2430   -2.9871562   -2.6729801   -2.6518772 
+    2431   -2.9871562   -2.6729801   -2.6322507 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 47 x ${x0}
+set atom 47 x 3.24420675992527
+  1 settings made for x
+set atom $i y ${y0}
+set atom 47 y ${y0}
+set atom 47 y 3.73567457957399
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 66
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74727117021515
+variable        y0 equal ${yi}
+variable        y0 equal 6.50648560062877
+
+set             atom $i x ${xnew}
+set             atom 66 x ${xnew}
+set             atom 66 x 2.67225971420242
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 66 y ${ynew}
+set             atom 66 y 6.52231688038341
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2431   -2.9871562   -2.6729801   -2.6322507 
+    2432   -2.9871562   -2.6729801   -2.6611896 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 66 x ${x0}
+set atom 66 x 2.74727117021515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 66 y ${y0}
+set atom 66 y 6.50648560062877
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.87285548408023
+variable        y0 equal ${yi}
+variable        y0 equal 8.36937119878825
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.90365315635196
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.41949571289119
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2432   -2.9871562   -2.6729801   -2.6611896 
+    2433   -2.9871562   -2.6729801   -2.6685407 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 92 x ${x0}
+set atom 92 x 5.87285548408023
+  1 settings made for x
+set atom $i y ${y0}
+set atom 92 y ${y0}
+set atom 92 y 8.36937119878825
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.40156468867379
+variable        y0 equal ${yi}
+variable        y0 equal 0.00304889678955437
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.43548999547082
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y 0.0614332914352453
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2433   -2.9871562   -2.6729801   -2.6685407 
+    2434   -2.9871562   -2.6729801   -2.6623911 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 13 x ${x0}
+set atom 13 x 6.40156468867379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 13 y ${y0}
+set atom 13 y 0.00304889678955437
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.26957070906373
+variable        y0 equal ${yi}
+variable        y0 equal 1.93462480685777
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.21101167280885
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 2.02581204555101
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2434   -2.9871562   -2.6729801   -2.6623911 
+    2435   -2.9871562   -2.6729801   -2.6227442 
+Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.26957070906373
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.93462480685777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.82160441517171
+variable        y0 equal ${yi}
+variable        y0 equal 8.38617150701579
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.75844916939077
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.31827254213389
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2435   -2.9871562   -2.6729801   -2.6227442 
+    2436   -2.9871562   -2.6729801   -2.6593175 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 90 x ${x0}
+set atom 90 x 4.82160441517171
+  1 settings made for x
+set atom $i y ${y0}
+set atom 90 y ${y0}
+set atom 90 y 8.38617150701579
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.6009168970563
+variable        y0 equal ${yi}
+variable        y0 equal 0.937610264528124
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.6808315741994
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 0.98436072658333
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2436   -2.9871562   -2.6729801   -2.6593175 
+    2437   -2.9871562   -2.6729801    -2.657141 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 4 x ${x0}
+set atom 4 x 1.6009168970563
+  1 settings made for x
+set atom $i y ${y0}
+set atom 4 y ${y0}
+set atom 4 y 0.937610264528124
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 86
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.71264111001922
+variable        y0 equal ${yi}
+variable        y0 equal 8.37165092147884
+
+set             atom $i x ${xnew}
+set             atom 86 x ${xnew}
+set             atom 86 x 2.6136439700885
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 86 y ${ynew}
+set             atom 86 y 8.41902798332271
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2437   -2.9871562   -2.6729801    -2.657141 
+    2438   -2.9871562   -2.6729801   -2.6466705 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 86 x ${x0}
+set atom 86 x 2.71264111001922
+  1 settings made for x
+set atom $i y ${y0}
+set atom 86 y ${y0}
+set atom 86 y 8.37165092147884
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.89040735601722
+variable        y0 equal ${yi}
+variable        y0 equal 6.45623155371179
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.87026623129188
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.43623380199899
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2438   -2.9871562   -2.6729801   -2.6466705 
+    2439   -2.9871562   -2.6729801   -2.6708032 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 4.89040735601722
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.45623155371179
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.95025718807079
+variable        y0 equal ${yi}
+variable        y0 equal 0.949378951299518
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 7.87472111581661
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 1.02108964513573
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2439   -2.9871562   -2.6729801   -2.6708032 
+    2440   -2.9871562   -2.6729801   -2.6450257 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 16 x ${x0}
+set atom 16 x 7.95025718807079
+  1 settings made for x
+set atom $i y ${y0}
+set atom 16 y ${y0}
+set atom 16 y 0.949378951299518
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.57288145302412
+variable        y0 equal ${yi}
+variable        y0 equal 3.68945432467593
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.66196238278028
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.608541579677
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2440   -2.9871562   -2.6729801   -2.6450257 
+    2441   -2.9871562   -2.6729801   -2.6665315 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 59 x ${x0}
+set atom 59 x 9.57288145302412
+  1 settings made for x
+set atom $i y ${y0}
+set atom 59 y ${y0}
+set atom 59 y 3.68945432467593
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 42
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.500509889522458
+variable        y0 equal ${yi}
+variable        y0 equal 4.59161240214273
+
+set             atom $i x ${xnew}
+set             atom 42 x ${xnew}
+set             atom 42 x 0.569605214992429
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 42 y ${ynew}
+set             atom 42 y 4.62976808899805
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2441   -2.9871562   -2.6729801   -2.6665315 
+    2442   -2.9871562   -2.6729801   -2.6703263 
+Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 42 x ${x0}
+set atom 42 x 0.500509889522458
+  1 settings made for x
+set atom $i y ${y0}
+set atom 42 y ${y0}
+set atom 42 y 4.59161240214273
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 41
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.7038741310291
+variable        y0 equal ${yi}
+variable        y0 equal 3.65389419360293
+
+set             atom $i x ${xnew}
+set             atom 41 x ${xnew}
+set             atom 41 x 10.6394732673816
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 41 y ${ynew}
+set             atom 41 y 3.67210212512148
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2442   -2.9871562   -2.6729801   -2.6703263 
+    2443   -2.9871562   -2.6729801   -2.6657046 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 41 x ${x0}
+set atom 41 x 10.7038741310291
+  1 settings made for x
+set atom $i y ${y0}
+set atom 41 y ${y0}
+set atom 41 y 3.65389419360293
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.78193971434718
+variable        y0 equal ${yi}
+variable        y0 equal 8.31736352361736
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.8602925590623
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.40810329832134
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2443   -2.9871562   -2.6729801   -2.6657046 
+    2444   -2.9871562   -2.6729801   -2.6431594 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.78193971434718
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.31736352361736
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 66
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74727117021515
+variable        y0 equal ${yi}
+variable        y0 equal 6.50648560062877
+
+set             atom $i x ${xnew}
+set             atom 66 x ${xnew}
+set             atom 66 x 2.81875602205231
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 66 y ${ynew}
+set             atom 66 y 6.46671911016933
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2444   -2.9871562   -2.6729801   -2.6431594 
+    2445   -2.9871562   -2.6729801   -2.6589458 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 66 x ${x0}
+set atom 66 x 2.74727117021515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 66 y ${y0}
+set atom 66 y 6.50648560062877
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.525174053111937
+variable        y0 equal ${yi}
+variable        y0 equal 0.894475575197066
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.505471845069792
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.807812817800368
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2445   -2.9871562   -2.6729801   -2.6589458 
+    2446   -2.9871562   -2.6729801   -2.6605795 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.525174053111937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 0.894475575197066
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 26
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.65179307659102
+variable        y0 equal ${yi}
+variable        y0 equal 2.85066882344583
+
+set             atom $i x ${xnew}
+set             atom 26 x ${xnew}
+set             atom 26 x 2.62607493598891
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 26 y ${ynew}
+set             atom 26 y 2.94128836366037
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2446   -2.9871562   -2.6729801   -2.6605795 
+    2447   -2.9871562   -2.6729801   -2.6349945 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 26 x ${x0}
+set atom 26 x 2.65179307659102
+  1 settings made for x
+set atom $i y ${y0}
+set atom 26 y ${y0}
+set atom 26 y 2.85066882344583
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 94
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.99553199091598
+variable        y0 equal ${yi}
+variable        y0 equal 8.37164120592174
+
+set             atom $i x ${xnew}
+set             atom 94 x ${xnew}
+set             atom 94 x 6.93915987291976
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 94 y ${ynew}
+set             atom 94 y 8.43049979127941
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2447   -2.9871562   -2.6729801   -2.6349945 
+    2448   -2.9871562   -2.6729801   -2.6696187 
+Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 94 x ${x0}
+set atom 94 x 6.99553199091598
+  1 settings made for x
+set atom $i y ${y0}
+set atom 94 y ${y0}
+set atom 94 y 8.37164120592174
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 23
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.07343188841992
+variable        y0 equal ${yi}
+variable        y0 equal 1.85961672446793
+
+set             atom $i x ${xnew}
+set             atom 23 x ${xnew}
+set             atom 23 x 1.13405762036496
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 23 y ${ynew}
+set             atom 23 y 1.91971053264206
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2448   -2.9871562   -2.6729801   -2.6696187 
+    2449   -2.9871562   -2.6729801   -2.6523994 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 23 x ${x0}
+set atom 23 x 1.07343188841992
+  1 settings made for x
+set atom $i y ${y0}
+set atom 23 y ${y0}
+set atom 23 y 1.85961672446793
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 24
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59829139590045
+variable        y0 equal ${yi}
+variable        y0 equal 2.77385951253275
+
+set             atom $i x ${xnew}
+set             atom 24 x ${xnew}
+set             atom 24 x 1.62670646786471
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 24 y ${ynew}
+set             atom 24 y 2.76773884269098
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2449   -2.9871562   -2.6729801   -2.6523994 
+    2450   -2.9871562   -2.6729801   -2.6723259 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 24 x ${x0}
+set atom 24 x 1.59829139590045
+  1 settings made for x
+set atom $i y ${y0}
+set atom 24 y ${y0}
+set atom 24 y 2.77385951253275
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 66
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74727117021515
+variable        y0 equal ${yi}
+variable        y0 equal 6.50648560062877
+
+set             atom $i x ${xnew}
+set             atom 66 x ${xnew}
+set             atom 66 x 2.71998424728348
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 66 y ${ynew}
+set             atom 66 y 6.55711456076137
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2450   -2.9871562   -2.6729801   -2.6723259 
+    2451   -2.9871562   -2.6729801   -2.6613657 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 66 x ${x0}
+set atom 66 x 2.74727117021515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 66 y ${y0}
+set atom 66 y 6.50648560062877
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.98550258834353
+variable        y0 equal ${yi}
+variable        y0 equal 6.47227353588572
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 6.05613430697909
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.54370138184062
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2451   -2.9871562   -2.6729801   -2.6613657 
+    2452   -2.9871562   -2.6729801   -2.6406402 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 72 x ${x0}
+set atom 72 x 5.98550258834353
+  1 settings made for x
+set atom $i y ${y0}
+set atom 72 y ${y0}
+set atom 72 y 6.47227353588572
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.525174053111937
+variable        y0 equal ${yi}
+variable        y0 equal 0.894475575197066
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.554133351245787
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.858190162885512
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2452   -2.9871562   -2.6729801   -2.6406402 
+    2453   -2.9871562   -2.6729801   -2.6662407 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.525174053111937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 0.894475575197066
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0324913382529836
+variable        y0 equal ${yi}
+variable        y0 equal 5.50569564049439
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x 0.062061429023705
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.47091410105423
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2453   -2.9871562   -2.6729801   -2.6662407 
+    2454   -2.9871562   -2.6729801   -2.6606036 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 61 x ${x0}
+set atom 61 x 0.0324913382529836
+  1 settings made for x
+set atom $i y ${y0}
+set atom 61 y ${y0}
+set atom 61 y 5.50569564049439
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.88060106316253
+variable        y0 equal ${yi}
+variable        y0 equal 0.960105260122139
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.90220784226104
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 0.913237865674812
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2454   -2.9871562   -2.6729801   -2.6606036 
+    2455   -2.9871562   -2.6729801   -2.6723665 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 14 x ${x0}
+set atom 14 x 6.88060106316253
+  1 settings made for x
+set atom $i y ${y0}
+set atom 14 y ${y0}
+set atom 14 y 0.960105260122139
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.81670362273342
+variable        y0 equal ${yi}
+variable        y0 equal 2.85977786752084
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.90643909493572
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.87744742604593
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2455   -2.9871562   -2.6729801   -2.6723665 
+    2456   -2.9871562   -2.6729801   -2.6410619 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.81670362273342
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.85977786752084
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.16921079794274
+variable        y0 equal ${yi}
+variable        y0 equal 1.86157575032777
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.21827521959649
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.83304312608308
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2456   -2.9871562   -2.6729801   -2.6410619 
+    2457   -2.9871562   -2.6729801   -2.6621578 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.16921079794274
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.86157575032777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 39
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.58521930454847
+variable        y0 equal ${yi}
+variable        y0 equal 1.81828533790177
+
+set             atom $i x ${xnew}
+set             atom 39 x ${xnew}
+set             atom 39 x 9.63759286879179
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 39 y ${ynew}
+set             atom 39 y 1.79007758281296
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2457   -2.9871562   -2.6729801   -2.6621578 
+    2458   -2.9871562   -2.6729801   -2.6677494 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 39 x ${x0}
+set atom 39 x 9.58521930454847
+  1 settings made for x
+set atom $i y ${y0}
+set atom 39 y ${y0}
+set atom 39 y 1.81828533790177
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 49
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.37311956961365
+variable        y0 equal ${yi}
+variable        y0 equal 3.73546738190782
+
+set             atom $i x ${xnew}
+set             atom 49 x ${xnew}
+set             atom 49 x 4.33963643391342
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 49 y ${ynew}
+set             atom 49 y 3.83546374602449
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2458   -2.9871562   -2.6729801   -2.6677494 
+    2459   -2.9871562   -2.6729801    -2.640633 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 49 x ${x0}
+set atom 49 x 4.37311956961365
+  1 settings made for x
+set atom $i y ${y0}
+set atom 49 y ${y0}
+set atom 49 y 3.73546738190782
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 68
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80623258868343
+variable        y0 equal ${yi}
+variable        y0 equal 6.50073292986383
+
+set             atom $i x ${xnew}
+set             atom 68 x ${xnew}
+set             atom 68 x 3.84689959803707
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 68 y ${ynew}
+set             atom 68 y 6.46320098177423
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2459   -2.9871562   -2.6729801    -2.640633 
+    2460   -2.9871562   -2.6729801    -2.672404 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 68 x ${x0}
+set atom 68 x 3.80623258868343
+  1 settings made for x
+set atom $i y ${y0}
+set atom 68 y ${y0}
+set atom 68 y 6.50073292986383
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.4643855285557
+variable        y0 equal ${yi}
+variable        y0 equal 3.79889360232483
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.43750552653391
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.71109053654801
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2460   -2.9871562   -2.6729801    -2.672404 
+    2461   -2.9871562   -2.6729801   -2.6750718 
+Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.67507182580089
+variable naccept equal ${increment}
+variable naccept equal 442
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 68
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80623258868343
+variable        y0 equal ${yi}
+variable        y0 equal 6.50073292986383
+
+set             atom $i x ${xnew}
+set             atom 68 x ${xnew}
+set             atom 68 x 3.8275111011613
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 68 y ${ynew}
+set             atom 68 y 6.48541394011011
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2461   -2.9871562   -2.6750718   -2.6750718 
+    2462   -2.9871562   -2.6750718   -2.6758756 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.67587562013179
+variable naccept equal ${increment}
+variable naccept equal 443
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 99
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.7112571763861
+variable        y0 equal ${yi}
+variable        y0 equal 7.38156818475986
+
+set             atom $i x ${xnew}
+set             atom 99 x ${xnew}
+set             atom 99 x 9.71089048861144
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 99 y ${ynew}
+set             atom 99 y 7.37073431339527
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2462   -2.9871562   -2.6758756   -2.6758756 
+    2463   -2.9871562   -2.6758756   -2.6752564 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 99 x ${x0}
+set atom 99 x 9.7112571763861
+  1 settings made for x
+set atom $i y ${y0}
+set atom 99 y ${y0}
+set atom 99 y 7.38156818475986
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.16921079794274
+variable        y0 equal ${yi}
+variable        y0 equal 1.86157575032777
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.07854169050561
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.79039312980241
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2463   -2.9871562   -2.6758756   -2.6752564 
+    2464   -2.9871562   -2.6758756   -2.6540239 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.16921079794274
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.86157575032777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.64148960311842
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.62794814461633
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2464   -2.9871562   -2.6758756   -2.6540239 
+    2465   -2.9871562   -2.6758756   -2.6569978 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31596373716261
+variable        y0 equal ${yi}
+variable        y0 equal 1.83819601914949
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.27601794401075
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 1.81100696704454
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2465   -2.9871562   -2.6758756   -2.6569978 
+    2466   -2.9871562   -2.6758756   -2.6685331 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 31 x ${x0}
+set atom 31 x 5.31596373716261
+  1 settings made for x
+set atom $i y ${y0}
+set atom 31 y ${y0}
+set atom 31 y 1.83819601914949
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.525174053111937
+variable        y0 equal ${yi}
+variable        y0 equal 0.894475575197066
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.568958397308257
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.891818888891066
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2466   -2.9871562   -2.6758756   -2.6685331 
+    2467   -2.9871562   -2.6758756   -2.6703556 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.525174053111937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 0.894475575197066
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0324913382529836
+variable        y0 equal ${yi}
+variable        y0 equal 5.50569564049439
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x 0.0931103110313039
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.47361640875535
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2467   -2.9871562   -2.6758756   -2.6703556 
+    2468   -2.9871562   -2.6758756   -2.6546219 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 61 x ${x0}
+set atom 61 x 0.0324913382529836
+  1 settings made for x
+set atom $i y ${y0}
+set atom 61 y ${y0}
+set atom 61 y 5.50569564049439
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.56843688645784
+variable        y0 equal ${yi}
+variable        y0 equal 5.60343744700151
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.60410251775209
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.67671769802766
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2468   -2.9871562   -2.6758756   -2.6546219 
+    2469   -2.9871562   -2.6758756   -2.6701366 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 77 x ${x0}
+set atom 77 x 8.56843688645784
+  1 settings made for x
+set atom $i y ${y0}
+set atom 77 y ${y0}
+set atom 77 y 5.60343744700151
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.82160441517171
+variable        y0 equal ${yi}
+variable        y0 equal 8.38617150701579
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.74202143787679
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.40473294176158
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2469   -2.9871562   -2.6758756   -2.6701366 
+    2470   -2.9871562   -2.6758756   -2.6552347 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 90 x ${x0}
+set atom 90 x 4.82160441517171
+  1 settings made for x
+set atom $i y ${y0}
+set atom 90 y ${y0}
+set atom 90 y 8.38617150701579
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.7447922309093
+variable        y0 equal ${yi}
+variable        y0 equal 1.85953156135149
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x 10.7978355963878
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 1.83505871675081
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2470   -2.9871562   -2.6758756   -2.6552347 
+    2471   -2.9871562   -2.6758756   -2.6723551 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 21 x ${x0}
+set atom 21 x 10.7447922309093
+  1 settings made for x
+set atom $i y ${y0}
+set atom 21 y ${y0}
+set atom 21 y 1.85953156135149
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 87
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.21955398082295
+variable        y0 equal ${yi}
+variable        y0 equal 7.40080375995898
+
+set             atom $i x ${xnew}
+set             atom 87 x ${xnew}
+set             atom 87 x 3.16306031703511
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 87 y ${ynew}
+set             atom 87 y 7.45442326393389
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2471   -2.9871562   -2.6758756   -2.6723551 
+    2472   -2.9871562   -2.6758756   -2.6612081 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 87 x ${x0}
+set atom 87 x 3.21955398082295
+  1 settings made for x
+set atom $i y ${y0}
+set atom 87 y ${y0}
+set atom 87 y 7.40080375995898
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 39
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.58521930454847
+variable        y0 equal ${yi}
+variable        y0 equal 1.81828533790177
+
+set             atom $i x ${xnew}
+set             atom 39 x ${xnew}
+set             atom 39 x 9.62048832653639
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 39 y ${ynew}
+set             atom 39 y 1.7839539088971
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2472   -2.9871562   -2.6758756   -2.6612081 
+    2473   -2.9871562   -2.6758756   -2.6719253 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 39 x ${x0}
+set atom 39 x 9.58521930454847
+  1 settings made for x
+set atom $i y ${y0}
+set atom 39 y ${y0}
+set atom 39 y 1.81828533790177
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.43750552653391
+variable        y0 equal ${yi}
+variable        y0 equal 3.71109053654801
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.46872171877939
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.63189066214692
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2473   -2.9871562   -2.6758756   -2.6719253 
+    2474   -2.9871562   -2.6758756   -2.6479025 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 53 x ${x0}
+set atom 53 x 6.43750552653391
+  1 settings made for x
+set atom $i y ${y0}
+set atom 53 y ${y0}
+set atom 53 y 3.71109053654801
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 67
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.30972831010381
+variable        y0 equal ${yi}
+variable        y0 equal 5.57299091761308
+
+set             atom $i x ${xnew}
+set             atom 67 x ${xnew}
+set             atom 67 x 3.29802477120916
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 67 y ${ynew}
+set             atom 67 y 5.57190024798112
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2474   -2.9871562   -2.6758756   -2.6479025 
+    2475   -2.9871562   -2.6758756   -2.6760465 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.67604647212514
+variable naccept equal ${increment}
+variable naccept equal 444
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 7
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.22492432355444
+variable        y0 equal ${yi}
+variable        y0 equal 0.0240613460540867
+
+set             atom $i x ${xnew}
+set             atom 7 x ${xnew}
+set             atom 7 x 3.22542145013372
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 7 y ${ynew}
+set             atom 7 y 0.116746926307688
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2475   -2.9871562   -2.6760465   -2.6760465 
+    2476   -2.9871562   -2.6760465   -2.6555658 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 7 x ${x0}
+set atom 7 x 3.22492432355444
+  1 settings made for x
+set atom $i y ${y0}
+set atom 7 y ${y0}
+set atom 7 y 0.0240613460540867
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 10
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.77766234516441
+variable        y0 equal ${yi}
+variable        y0 equal 0.927607925641864
+
+set             atom $i x ${xnew}
+set             atom 10 x ${xnew}
+set             atom 10 x 4.81945318817436
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 10 y ${ynew}
+set             atom 10 y 0.972488828409045
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2476   -2.9871562   -2.6760465   -2.6555658 
+    2477   -2.9871562   -2.6760465   -2.6681725 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 10 x ${x0}
+set atom 10 x 4.77766234516441
+  1 settings made for x
+set atom $i y ${y0}
+set atom 10 y ${y0}
+set atom 10 y 0.927607925641864
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.41745940843489
+variable        y0 equal ${yi}
+variable        y0 equal 5.54884942715364
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.43266175189879
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.62533801739412
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2477   -2.9871562   -2.6760465   -2.6681725 
+    2478   -2.9871562   -2.6760465   -2.6656715 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 71 x ${x0}
+set atom 71 x 5.41745940843489
+  1 settings made for x
+set atom $i y ${y0}
+set atom 71 y ${y0}
+set atom 71 y 5.54884942715364
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 39
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.58521930454847
+variable        y0 equal ${yi}
+variable        y0 equal 1.81828533790177
+
+set             atom $i x ${xnew}
+set             atom 39 x ${xnew}
+set             atom 39 x 9.54385236977216
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 39 y ${ynew}
+set             atom 39 y 1.79902594468659
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2478   -2.9871562   -2.6760465   -2.6656715 
+    2479   -2.9871562   -2.6760465   -2.6717637 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 39 x ${x0}
+set atom 39 x 9.58521930454847
+  1 settings made for x
+set atom $i y ${y0}
+set atom 39 y ${y0}
+set atom 39 y 1.81828533790177
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.05432130693294
+variable        y0 equal ${yi}
+variable        y0 equal 8.31604041971262
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.1252069651971
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.31877472318705
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2479   -2.9871562   -2.6760465   -2.6717637 
+    2480   -2.9871562   -2.6760465   -2.6619571 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.05432130693294
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.31604041971262
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.43750552653391
+variable        y0 equal ${yi}
+variable        y0 equal 3.71109053654801
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.38054412125666
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.63811403079163
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2480   -2.9871562   -2.6760465   -2.6619571 
+    2481   -2.9871562   -2.6760465   -2.6272267 
+Loop time of 3.91006e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 53 x ${x0}
+set atom 53 x 6.43750552653391
+  1 settings made for x
+set atom $i y ${y0}
+set atom 53 y ${y0}
+set atom 53 y 3.71109053654801
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.56843688645784
+variable        y0 equal ${yi}
+variable        y0 equal 5.60343744700151
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.63255620160524
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.62287912314134
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2481   -2.9871562   -2.6760465   -2.6272267 
+    2482   -2.9871562   -2.6760465   -2.6724834 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 77 x ${x0}
+set atom 77 x 8.56843688645784
+  1 settings made for x
+set atom $i y ${y0}
+set atom 77 y ${y0}
+set atom 77 y 5.60343744700151
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.05432130693294
+variable        y0 equal ${yi}
+variable        y0 equal 8.31604041971262
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.1429072439561
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.27161590971048
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2482   -2.9871562   -2.6760465   -2.6724834 
+    2483   -2.9871562   -2.6760465    -2.646136 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.05432130693294
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.31604041971262
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 50
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.95790398954688
+variable        y0 equal ${yi}
+variable        y0 equal 4.55875416153833
+
+set             atom $i x ${xnew}
+set             atom 50 x ${xnew}
+set             atom 50 x 4.90190082430182
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 50 y ${ynew}
+set             atom 50 y 4.64044535511896
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2483   -2.9871562   -2.6760465    -2.646136 
+    2484   -2.9871562   -2.6760465   -2.6869445 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.68694449246806
+variable naccept equal ${increment}
+variable naccept equal 445
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.98550258834353
+variable        y0 equal ${yi}
+variable        y0 equal 6.47227353588572
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 5.96551856954089
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.44962929026118
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2484   -2.9871562   -2.6869445   -2.6869445 
+    2485   -2.9871562   -2.6869445   -2.6868966 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.68689656181847
+variable naccept equal ${increment}
+variable naccept equal 446
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.41745940843489
+variable        y0 equal ${yi}
+variable        y0 equal 5.54884942715364
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.43822470107939
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.50241793339448
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2485   -2.9871562   -2.6868966   -2.6868966 
+    2486   -2.9871562   -2.6868966   -2.6731725 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 71 x ${x0}
+set atom 71 x 5.41745940843489
+  1 settings made for x
+set atom $i y ${y0}
+set atom 71 y ${y0}
+set atom 71 y 5.54884942715364
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 32
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.92034897763721
+variable        y0 equal ${yi}
+variable        y0 equal 2.80042437287667
+
+set             atom $i x ${xnew}
+set             atom 32 x ${xnew}
+set             atom 32 x 5.83638107736103
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 32 y ${ynew}
+set             atom 32 y 2.79404927464822
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2486   -2.9871562   -2.6868966   -2.6731725 
+    2487   -2.9871562   -2.6868966    -2.659627 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 32 x ${x0}
+set atom 32 x 5.92034897763721
+  1 settings made for x
+set atom $i y ${y0}
+set atom 32 y ${y0}
+set atom 32 y 2.80042437287667
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59001860499163
+variable        y0 equal ${yi}
+variable        y0 equal 4.68076303357049
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.68512376427431
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.7540370499508
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2487   -2.9871562   -2.6868966    -2.659627 
+    2488   -2.9871562   -2.6868966   -2.6702329 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 44 x ${x0}
+set atom 44 x 1.59001860499163
+  1 settings made for x
+set atom $i y ${y0}
+set atom 44 y ${y0}
+set atom 44 y 4.68076303357049
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.89040735601722
+variable        y0 equal ${yi}
+variable        y0 equal 6.45623155371179
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.80190362572013
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.40830033556451
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2488   -2.9871562   -2.6868966   -2.6702329 
+    2489   -2.9871562   -2.6868966   -2.6603666 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 4.89040735601722
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.45623155371179
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 87
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.21955398082295
+variable        y0 equal ${yi}
+variable        y0 equal 7.40080375995898
+
+set             atom $i x ${xnew}
+set             atom 87 x ${xnew}
+set             atom 87 x 3.13023570537129
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 87 y ${ynew}
+set             atom 87 y 7.32527170505786
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2489   -2.9871562   -2.6868966   -2.6603666 
+    2490   -2.9871562   -2.6868966   -2.6000911 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 87 x ${x0}
+set atom 87 x 3.21955398082295
+  1 settings made for x
+set atom $i y ${y0}
+set atom 87 y ${y0}
+set atom 87 y 7.40080375995898
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.94641846377841
+variable        y0 equal ${yi}
+variable        y0 equal 4.67712874764368
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 5.87901177365771
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.63237179869577
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2490   -2.9871562   -2.6868966   -2.6000911 
+    2491   -2.9871562   -2.6868966   -2.6840578 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 52 x ${x0}
+set atom 52 x 5.94641846377841
+  1 settings made for x
+set atom $i y ${y0}
+set atom 52 y ${y0}
+set atom 52 y 4.67712874764368
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 9
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.27178276856155
+variable        y0 equal ${yi}
+variable        y0 equal 0.00600513219834582
+
+set             atom $i x ${xnew}
+set             atom 9 x ${xnew}
+set             atom 9 x 4.3465277798912
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 9 y ${ynew}
+set             atom 9 y -0.038505995273578
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2491   -2.9871562   -2.6868966   -2.6840578 
+    2492   -2.9871562   -2.6868966   -2.6617074 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 9 x ${x0}
+set atom 9 x 4.27178276856155
+  1 settings made for x
+set atom $i y ${y0}
+set atom 9 y ${y0}
+set atom 9 y 0.00600513219834582
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 37
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.50780906835024
+variable        y0 equal ${yi}
+variable        y0 equal 1.87973840615815
+
+set             atom $i x ${xnew}
+set             atom 37 x ${xnew}
+set             atom 37 x 8.51648090043489
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 37 y ${ynew}
+set             atom 37 y 1.84042694947785
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2492   -2.9871562   -2.6868966   -2.6617074 
+    2493   -2.9871562   -2.6868966   -2.6926426 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.69264255296387
+variable naccept equal ${increment}
+variable naccept equal 447
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.545649071136379
+variable        y0 equal ${yi}
+variable        y0 equal 2.77431966039041
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.471776421466732
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.85544481250146
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2493   -2.9871562   -2.6926426   -2.6926426 
+    2494   -2.9871562   -2.6926426   -2.6675103 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.545649071136379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.77431966039041
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.26957070906373
+variable        y0 equal ${yi}
+variable        y0 equal 1.93462480685777
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.3041320331833
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 2.00528960607118
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2494   -2.9871562   -2.6926426   -2.6675103 
+    2495   -2.9871562   -2.6926426   -2.6753679 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.26957070906373
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.93462480685777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 23
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.07343188841992
+variable        y0 equal ${yi}
+variable        y0 equal 1.85961672446793
+
+set             atom $i x ${xnew}
+set             atom 23 x ${xnew}
+set             atom 23 x 0.998586347896391
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 23 y ${ynew}
+set             atom 23 y 1.8273900666005
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2495   -2.9871562   -2.6926426   -2.6753679 
+    2496   -2.9871562   -2.6926426    -2.682896 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 23 x ${x0}
+set atom 23 x 1.07343188841992
+  1 settings made for x
+set atom $i y ${y0}
+set atom 23 y ${y0}
+set atom 23 y 1.85961672446793
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31596373716261
+variable        y0 equal ${yi}
+variable        y0 equal 1.83819601914949
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.39202789464857
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 1.79635786197252
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2496   -2.9871562   -2.6926426    -2.682896 
+    2497   -2.9871562   -2.6926426   -2.6682906 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 31 x ${x0}
+set atom 31 x 5.31596373716261
+  1 settings made for x
+set atom $i y ${y0}
+set atom 31 y ${y0}
+set atom 31 y 1.83819601914949
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 27
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.2013416862444
+variable        y0 equal ${yi}
+variable        y0 equal 1.98039417645997
+
+set             atom $i x ${xnew}
+set             atom 27 x ${xnew}
+set             atom 27 x 3.19985853194753
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 27 y ${ynew}
+set             atom 27 y 1.9827362098462
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2497   -2.9871562   -2.6926426   -2.6682906 
+    2498   -2.9871562   -2.6926426   -2.6923119 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 27 x ${x0}
+set atom 27 x 3.2013416862444
+  1 settings made for x
+set atom $i y ${y0}
+set atom 27 y ${y0}
+set atom 27 y 1.98039417645997
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 36
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.01815503238536
+variable        y0 equal ${yi}
+variable        y0 equal 2.72729808064798
+
+set             atom $i x ${xnew}
+set             atom 36 x ${xnew}
+set             atom 36 x 7.96342524885036
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 36 y ${ynew}
+set             atom 36 y 2.71862456771234
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2498   -2.9871562   -2.6926426   -2.6923119 
+    2499   -2.9871562   -2.6926426   -2.6811371 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 36 x ${x0}
+set atom 36 x 8.01815503238536
+  1 settings made for x
+set atom $i y ${y0}
+set atom 36 y ${y0}
+set atom 36 y 2.72729808064798
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.98599239308387
+variable        y0 equal ${yi}
+variable        y0 equal 0.925951715219346
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 8.97111774403602
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 0.847791083562699
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2499   -2.9871562   -2.6926426   -2.6811371 
+    2500   -2.9871562   -2.6926426    -2.665093 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 18 x ${x0}
+set atom 18 x 8.98599239308387
+  1 settings made for x
+set atom $i y ${y0}
+set atom 18 y ${y0}
+set atom 18 y 0.925951715219346
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 84
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.63794375538607
+variable        y0 equal ${yi}
+variable        y0 equal 8.371298693791
+
+set             atom $i x ${xnew}
+set             atom 84 x ${xnew}
+set             atom 84 x 1.66552203774233
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 84 y ${ynew}
+set             atom 84 y 8.42365395940837
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2500   -2.9871562   -2.6926426    -2.665093 
+    2501   -2.9871562   -2.6926426   -2.6831547 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 84 x ${x0}
+set atom 84 x 1.63794375538607
+  1 settings made for x
+set atom $i y ${y0}
+set atom 84 y ${y0}
+set atom 84 y 8.371298693791
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.18122052589761
+variable        y0 equal ${yi}
+variable        y0 equal 7.43532284822726
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.16076294819223
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.39294575777316
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2501   -2.9871562   -2.6926426   -2.6831547 
+    2502   -2.9871562   -2.6926426   -2.6900641 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.18122052589761
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.43532284822726
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 17
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.56200896659319
+variable        y0 equal ${yi}
+variable        y0 equal 9.2929022978577
+
+set             atom $i x ${xnew}
+set             atom 17 x ${xnew}
+set             atom 17 x 8.52370623507921
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 17 y ${ynew}
+set             atom 17 y 9.39268836486667
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2502   -2.9871562   -2.6926426   -2.6900641 
+    2503   -2.9871562   -2.6926426   -2.6694697 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 17 x ${x0}
+set atom 17 x 8.56200896659319
+  1 settings made for x
+set atom $i y ${y0}
+set atom 17 y ${y0}
+set atom 17 y 9.2929022978577
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.16921079794274
+variable        y0 equal ${yi}
+variable        y0 equal 1.86157575032777
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.21297804752694
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.78955631635255
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2503   -2.9871562   -2.6926426   -2.6694697 
+    2504   -2.9871562   -2.6926426   -2.6752054 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.16921079794274
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.86157575032777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80759401837473
+variable        y0 equal ${yi}
+variable        y0 equal 4.6440585290806
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.82209716359263
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.67436261528894
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2504   -2.9871562   -2.6926426   -2.6752054 
+    2505   -2.9871562   -2.6926426   -2.6884218 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 48 x ${x0}
+set atom 48 x 3.80759401837473
+  1 settings made for x
+set atom $i y ${y0}
+set atom 48 y ${y0}
+set atom 48 y 4.6440585290806
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 12
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.84254707057468
+variable        y0 equal ${yi}
+variable        y0 equal 0.912364717233509
+
+set             atom $i x ${xnew}
+set             atom 12 x ${xnew}
+set             atom 12 x 5.75489987094394
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 12 y ${ynew}
+set             atom 12 y 0.970988412607044
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2505   -2.9871562   -2.6926426   -2.6884218 
+    2506   -2.9871562   -2.6926426   -2.6654725 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 12 x ${x0}
+set atom 12 x 5.84254707057468
+  1 settings made for x
+set atom $i y ${y0}
+set atom 12 y ${y0}
+set atom 12 y 0.912364717233509
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.41745940843489
+variable        y0 equal ${yi}
+variable        y0 equal 5.54884942715364
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.36826337972548
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.59279017393785
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2506   -2.9871562   -2.6926426   -2.6654725 
+    2507   -2.9871562   -2.6926426   -2.6812879 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 71 x ${x0}
+set atom 71 x 5.41745940843489
+  1 settings made for x
+set atom $i y ${y0}
+set atom 71 y ${y0}
+set atom 71 y 5.54884942715364
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.545649071136379
+variable        y0 equal ${yi}
+variable        y0 equal 2.77431966039041
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.634184368053341
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.79075897904733
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2507   -2.9871562   -2.6926426   -2.6812879 
+    2508   -2.9871562   -2.6926426   -2.6687403 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.545649071136379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.77431966039041
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 9
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.27178276856155
+variable        y0 equal ${yi}
+variable        y0 equal 0.00600513219834582
+
+set             atom $i x ${xnew}
+set             atom 9 x ${xnew}
+set             atom 9 x 4.31960460026474
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 9 y ${ynew}
+set             atom 9 y -0.0533848404884218
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2508   -2.9871562   -2.6926426   -2.6687403 
+    2509   -2.9871562   -2.6926426   -2.6775192 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 9 x ${x0}
+set atom 9 x 4.27178276856155
+  1 settings made for x
+set atom $i y ${y0}
+set atom 9 y ${y0}
+set atom 9 y 0.00600513219834582
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.32252682526322
+variable        y0 equal ${yi}
+variable        y0 equal 7.38917808857226
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.32041905005189
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.34070321645999
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2509   -2.9871562   -2.6926426   -2.6775192 
+    2510   -2.9871562   -2.6926426   -2.6828459 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 89 x ${x0}
+set atom 89 x 4.32252682526322
+  1 settings made for x
+set atom $i y ${y0}
+set atom 89 y ${y0}
+set atom 89 y 7.38917808857226
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.43750552653391
+variable        y0 equal ${yi}
+variable        y0 equal 3.71109053654801
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.47742998122294
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.76617543263566
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2510   -2.9871562   -2.6926426   -2.6828459 
+    2511   -2.9871562   -2.6926426   -2.6958995 
+Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.69589950401615
+variable naccept equal ${increment}
+variable naccept equal 448
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31596373716261
+variable        y0 equal ${yi}
+variable        y0 equal 1.83819601914949
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.41443130174543
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 1.8335958041913
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2511   -2.9871562   -2.6958995   -2.6958995 
+    2512   -2.9871562   -2.6958995   -2.6631698 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 31 x ${x0}
+set atom 31 x 5.31596373716261
+  1 settings made for x
+set atom $i y ${y0}
+set atom 31 y ${y0}
+set atom 31 y 1.83819601914949
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.32252682526322
+variable        y0 equal ${yi}
+variable        y0 equal 7.38917808857226
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.28435096819611
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.40754920568728
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2512   -2.9871562   -2.6958995   -2.6631698 
+    2513   -2.9871562   -2.6958995    -2.694946 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 89 x ${x0}
+set atom 89 x 4.32252682526322
+  1 settings made for x
+set atom $i y ${y0}
+set atom 89 y ${y0}
+set atom 89 y 7.38917808857226
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.26957070906373
+variable        y0 equal ${yi}
+variable        y0 equal 1.93462480685777
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.18528815586778
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.92469724795884
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2513   -2.9871562   -2.6958995    -2.694946 
+    2514   -2.9871562   -2.6958995   -2.6698044 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.26957070906373
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.93462480685777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 97
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.64328949609225
+variable        y0 equal ${yi}
+variable        y0 equal 7.40728055563236
+
+set             atom $i x ${xnew}
+set             atom 97 x ${xnew}
+set             atom 97 x 8.72738070645755
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 97 y ${ynew}
+set             atom 97 y 7.45948853817249
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2514   -2.9871562   -2.6958995   -2.6698044 
+    2515   -2.9871562   -2.6958995   -2.6849349 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 97 x ${x0}
+set atom 97 x 8.64328949609225
+  1 settings made for x
+set atom $i y ${y0}
+set atom 97 y ${y0}
+set atom 97 y 7.40728055563236
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 98
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.09545654971154
+variable        y0 equal ${yi}
+variable        y0 equal 8.37382508434351
+
+set             atom $i x ${xnew}
+set             atom 98 x ${xnew}
+set             atom 98 x 9.161497602053
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 98 y ${ynew}
+set             atom 98 y 8.37068205989893
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2515   -2.9871562   -2.6958995   -2.6849349 
+    2516   -2.9871562   -2.6958995   -2.6857567 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 98 x ${x0}
+set atom 98 x 9.09545654971154
+  1 settings made for x
+set atom $i y ${y0}
+set atom 98 y ${y0}
+set atom 98 y 8.37382508434351
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.23979663292276
+variable        y0 equal ${yi}
+variable        y0 equal 5.5713402385016
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.3296460811268
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.58626275007921
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2516   -2.9871562   -2.6958995   -2.6857567 
+    2517   -2.9871562   -2.6958995   -2.6657376 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 65 x ${x0}
+set atom 65 x 2.23979663292276
+  1 settings made for x
+set atom $i y ${y0}
+set atom 65 y ${y0}
+set atom 65 y 5.5713402385016
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.94641846377841
+variable        y0 equal ${yi}
+variable        y0 equal 4.67712874764368
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 5.99058518369189
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.66074750775263
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2517   -2.9871562   -2.6958995   -2.6657376 
+    2518   -2.9871562   -2.6958995   -2.6908942 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 52 x ${x0}
+set atom 52 x 5.94641846377841
+  1 settings made for x
+set atom $i y ${y0}
+set atom 52 y ${y0}
+set atom 52 y 4.67712874764368
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 66
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74727117021515
+variable        y0 equal ${yi}
+variable        y0 equal 6.50648560062877
+
+set             atom $i x ${xnew}
+set             atom 66 x ${xnew}
+set             atom 66 x 2.73009599645569
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 66 y ${ynew}
+set             atom 66 y 6.54209098354808
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2518   -2.9871562   -2.6958995   -2.6908942 
+    2519   -2.9871562   -2.6958995   -2.6889645 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 66 x ${x0}
+set atom 66 x 2.74727117021515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 66 y ${y0}
+set atom 66 y 6.50648560062877
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.36143123308087
+variable        y0 equal ${yi}
+variable        y0 equal 7.41034705963397
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.28303878703976
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.50500270452762
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2519   -2.9871562   -2.6958995   -2.6889645 
+    2520   -2.9871562   -2.6958995   -2.6645118 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 91 x ${x0}
+set atom 91 x 5.36143123308087
+  1 settings made for x
+set atom $i y ${y0}
+set atom 91 y ${y0}
+set atom 91 y 7.41034705963397
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 68
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.8275111011613
+variable        y0 equal ${yi}
+variable        y0 equal 6.48541394011011
+
+set             atom $i x ${xnew}
+set             atom 68 x ${xnew}
+set             atom 68 x 3.82892417231685
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 68 y ${ynew}
+set             atom 68 y 6.49794392124643
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2520   -2.9871562   -2.6958995   -2.6645118 
+    2521   -2.9871562   -2.6958995   -2.6948008 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 68 x ${x0}
+set atom 68 x 3.8275111011613
+  1 settings made for x
+set atom $i y ${y0}
+set atom 68 y ${y0}
+set atom 68 y 6.48541394011011
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.545649071136379
+variable        y0 equal ${yi}
+variable        y0 equal 2.77431966039041
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.542552276054287
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.78936891528467
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2521   -2.9871562   -2.6958995   -2.6948008 
+    2522   -2.9871562   -2.6958995   -2.6961678 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.6961677805902
+variable naccept equal ${increment}
+variable naccept equal 449
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.32252682526322
+variable        y0 equal ${yi}
+variable        y0 equal 7.38917808857226
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.37552396137925
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.38425133552813
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2522   -2.9871562   -2.6961678   -2.6961678 
+    2523   -2.9871562   -2.6961678   -2.6873989 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 89 x ${x0}
+set atom 89 x 4.32252682526322
+  1 settings made for x
+set atom $i y ${y0}
+set atom 89 y ${y0}
+set atom 89 y 7.38917808857226
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.88060106316253
+variable        y0 equal ${yi}
+variable        y0 equal 0.960105260122139
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.82990014830276
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 1.00548795055183
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2523   -2.9871562   -2.6961678   -2.6873989 
+    2524   -2.9871562   -2.6961678   -2.6835296 
+Loop time of 3.91006e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 14 x ${x0}
+set atom 14 x 6.88060106316253
+  1 settings made for x
+set atom $i y ${y0}
+set atom 14 y ${y0}
+set atom 14 y 0.960105260122139
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59001860499163
+variable        y0 equal ${yi}
+variable        y0 equal 4.68076303357049
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.49497903466006
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.60304630154534
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2524   -2.9871562   -2.6961678   -2.6835296 
+    2525   -2.9871562   -2.6961678   -2.6637259 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 44 x ${x0}
+set atom 44 x 1.59001860499163
+  1 settings made for x
+set atom $i y ${y0}
+set atom 44 y ${y0}
+set atom 44 y 4.68076303357049
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 39
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.58521930454847
+variable        y0 equal ${yi}
+variable        y0 equal 1.81828533790177
+
+set             atom $i x ${xnew}
+set             atom 39 x ${xnew}
+set             atom 39 x 9.52427670239088
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 39 y ${ynew}
+set             atom 39 y 1.76765001199311
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2525   -2.9871562   -2.6961678   -2.6637259 
+    2526   -2.9871562   -2.6961678   -2.6816515 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 39 x ${x0}
+set atom 39 x 9.58521930454847
+  1 settings made for x
+set atom $i y ${y0}
+set atom 39 y ${y0}
+set atom 39 y 1.81828533790177
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.40156468867379
+variable        y0 equal ${yi}
+variable        y0 equal 0.00304889678955437
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.44209136485177
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y -0.0953646898269617
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2526   -2.9871562   -2.6961678   -2.6816515 
+    2527   -2.9871562   -2.6961678   -2.6824967 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 13 x ${x0}
+set atom 13 x 6.40156468867379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 13 y ${y0}
+set atom 13 y 0.00304889678955437
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0324913382529836
+variable        y0 equal ${yi}
+variable        y0 equal 5.50569564049439
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x -0.0512205719948191
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.43324025814728
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2527   -2.9871562   -2.6961678   -2.6824967 
+    2528   -2.9871562   -2.6961678    -2.677284 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 61 x ${x0}
+set atom 61 x 0.0324913382529836
+  1 settings made for x
+set atom $i y ${y0}
+set atom 61 y ${y0}
+set atom 61 y 5.50569564049439
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.52396155435811
+variable        y0 equal ${yi}
+variable        y0 equal 3.76348131461275
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.53332637388478
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.68295677466524
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2528   -2.9871562   -2.6961678    -2.677284 
+    2529   -2.9871562   -2.6961678   -2.6932554 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 55 x ${x0}
+set atom 55 x 7.52396155435811
+  1 settings made for x
+set atom $i y ${y0}
+set atom 55 y ${y0}
+set atom 55 y 3.76348131461275
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.68984863638659
+variable        y0 equal ${yi}
+variable        y0 equal 6.46641751066677
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.67359857439776
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.53233353630535
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2529   -2.9871562   -2.6961678   -2.6932554 
+    2530   -2.9871562   -2.6961678   -2.6944322 
+Loop time of 0.0420699 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.68984863638659
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.46641751066677
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 94
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.99553199091598
+variable        y0 equal ${yi}
+variable        y0 equal 8.37164120592174
+
+set             atom $i x ${xnew}
+set             atom 94 x ${xnew}
+set             atom 94 x 7.05685017386123
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 94 y ${ynew}
+set             atom 94 y 8.4623811355978
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2530   -2.9871562   -2.6961678   -2.6944322 
+    2531   -2.9871562   -2.6961678   -2.6674652 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 94 x ${x0}
+set atom 94 x 6.99553199091598
+  1 settings made for x
+set atom $i y ${y0}
+set atom 94 y ${y0}
+set atom 94 y 8.37164120592174
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.78193971434718
+variable        y0 equal ${yi}
+variable        y0 equal 8.31736352361736
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.74395711938029
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.29059977449474
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2531   -2.9871562   -2.6961678   -2.6674652 
+    2532   -2.9871562   -2.6961678   -2.6921928 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.78193971434718
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.31736352361736
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 66
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74727117021515
+variable        y0 equal ${yi}
+variable        y0 equal 6.50648560062877
+
+set             atom $i x ${xnew}
+set             atom 66 x ${xnew}
+set             atom 66 x 2.78658100564911
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 66 y ${ynew}
+set             atom 66 y 6.4304710103654
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2532   -2.9871562   -2.6961678   -2.6921928 
+    2533   -2.9871562   -2.6961678   -2.6868598 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 66 x ${x0}
+set atom 66 x 2.74727117021515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 66 y ${y0}
+set atom 66 y 6.50648560062877
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.36143123308087
+variable        y0 equal ${yi}
+variable        y0 equal 7.41034705963397
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.30052438178921
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.48109097805285
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2533   -2.9871562   -2.6961678   -2.6868598 
+    2534   -2.9871562   -2.6961678   -2.6779658 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 91 x ${x0}
+set atom 91 x 5.36143123308087
+  1 settings made for x
+set atom $i y ${y0}
+set atom 91 y ${y0}
+set atom 91 y 7.41034705963397
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 43
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.11356125195676
+variable        y0 equal ${yi}
+variable        y0 equal 3.71681254668367
+
+set             atom $i x ${xnew}
+set             atom 43 x ${xnew}
+set             atom 43 x 1.08030164559537
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 43 y ${ynew}
+set             atom 43 y 3.75154196782243
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2534   -2.9871562   -2.6961678   -2.6779658 
+    2535   -2.9871562   -2.6961678   -2.6933173 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 43 x ${x0}
+set atom 43 x 1.11356125195676
+  1 settings made for x
+set atom $i y ${y0}
+set atom 43 y ${y0}
+set atom 43 y 3.71681254668367
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.5878455599004
+variable        y0 equal ${yi}
+variable        y0 equal 9.28117802846759
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x 10.5279774625951
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 9.32322272765964
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2535   -2.9871562   -2.6961678   -2.6933173 
+    2536   -2.9871562   -2.6961678   -2.6648417 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 1 x ${x0}
+set atom 1 x 10.5878455599004
+  1 settings made for x
+set atom $i y ${y0}
+set atom 1 y ${y0}
+set atom 1 y 9.28117802846759
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1636192683241
+variable        y0 equal ${yi}
+variable        y0 equal 2.70693036290506
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.188491762068
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.73674997063974
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2536   -2.9871562   -2.6961678   -2.6648417 
+    2537   -2.9871562   -2.6961678    -2.698014 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.69801396675776
+variable naccept equal ${increment}
+variable naccept equal 450
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 98
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.09545654971154
+variable        y0 equal ${yi}
+variable        y0 equal 8.37382508434351
+
+set             atom $i x ${xnew}
+set             atom 98 x ${xnew}
+set             atom 98 x 9.1309702249244
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 98 y ${ynew}
+set             atom 98 y 8.39277704872187
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2537   -2.9871562    -2.698014    -2.698014 
+    2538   -2.9871562    -2.698014    -2.695023 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 98 x ${x0}
+set atom 98 x 9.09545654971154
+  1 settings made for x
+set atom $i y ${y0}
+set atom 98 y ${y0}
+set atom 98 y 8.37382508434351
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 84
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.63794375538607
+variable        y0 equal ${yi}
+variable        y0 equal 8.371298693791
+
+set             atom $i x ${xnew}
+set             atom 84 x ${xnew}
+set             atom 84 x 1.71306710123797
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 84 y ${ynew}
+set             atom 84 y 8.39491246856746
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2538   -2.9871562    -2.698014    -2.695023 
+    2539   -2.9871562    -2.698014   -2.6815982 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 84 x ${x0}
+set atom 84 x 1.63794375538607
+  1 settings made for x
+set atom $i y ${y0}
+set atom 84 y ${y0}
+set atom 84 y 8.371298693791
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 39
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.58521930454847
+variable        y0 equal ${yi}
+variable        y0 equal 1.81828533790177
+
+set             atom $i x ${xnew}
+set             atom 39 x ${xnew}
+set             atom 39 x 9.60361686228391
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 39 y ${ynew}
+set             atom 39 y 1.87668323895997
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2539   -2.9871562    -2.698014   -2.6815982 
+    2540   -2.9871562    -2.698014   -2.6933638 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 39 x ${x0}
+set atom 39 x 9.58521930454847
+  1 settings made for x
+set atom $i y ${y0}
+set atom 39 y ${y0}
+set atom 39 y 1.81828533790177
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.41745940843489
+variable        y0 equal ${yi}
+variable        y0 equal 5.54884942715364
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.32826618352797
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.55577976649004
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2540   -2.9871562    -2.698014   -2.6933638 
+    2541   -2.9871562    -2.698014   -2.6717815 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 71 x ${x0}
+set atom 71 x 5.41745940843489
+  1 settings made for x
+set atom $i y ${y0}
+set atom 71 y ${y0}
+set atom 71 y 5.54884942715364
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.82160441517171
+variable        y0 equal ${yi}
+variable        y0 equal 8.38617150701579
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.85353361009893
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.36821463026103
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2541   -2.9871562    -2.698014   -2.6717815 
+    2542   -2.9871562    -2.698014   -2.6967447 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 90 x ${x0}
+set atom 90 x 4.82160441517171
+  1 settings made for x
+set atom $i y ${y0}
+set atom 90 y ${y0}
+set atom 90 y 8.38617150701579
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 76
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.11976422666408
+variable        y0 equal ${yi}
+variable        y0 equal 6.57524594799509
+
+set             atom $i x ${xnew}
+set             atom 76 x ${xnew}
+set             atom 76 x 8.18596313594676
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 76 y ${ynew}
+set             atom 76 y 6.58775347010126
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2542   -2.9871562    -2.698014   -2.6967447 
+    2543   -2.9871562    -2.698014    -2.659146 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 76 x ${x0}
+set atom 76 x 8.11976422666408
+  1 settings made for x
+set atom $i y ${y0}
+set atom 76 y ${y0}
+set atom 76 y 6.57524594799509
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.68296865423155
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.7715963994877
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2543   -2.9871562    -2.698014    -2.659146 
+    2544   -2.9871562    -2.698014   -2.6427479 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 94
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.99553199091598
+variable        y0 equal ${yi}
+variable        y0 equal 8.37164120592174
+
+set             atom $i x ${xnew}
+set             atom 94 x ${xnew}
+set             atom 94 x 6.93040358105346
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 94 y ${ynew}
+set             atom 94 y 8.45145515121517
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2544   -2.9871562    -2.698014   -2.6427479 
+    2545   -2.9871562    -2.698014   -2.6889534 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 94 x ${x0}
+set atom 94 x 6.99553199091598
+  1 settings made for x
+set atom $i y ${y0}
+set atom 94 y ${y0}
+set atom 94 y 8.37164120592174
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 23
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.07343188841992
+variable        y0 equal ${yi}
+variable        y0 equal 1.85961672446793
+
+set             atom $i x ${xnew}
+set             atom 23 x ${xnew}
+set             atom 23 x 1.05475207884961
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 23 y ${ynew}
+set             atom 23 y 1.94112024686402
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2545   -2.9871562    -2.698014   -2.6889534 
+    2546   -2.9871562    -2.698014   -2.6778952 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 23 x ${x0}
+set atom 23 x 1.07343188841992
+  1 settings made for x
+set atom $i y ${y0}
+set atom 23 y ${y0}
+set atom 23 y 1.85961672446793
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 68
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.8275111011613
+variable        y0 equal ${yi}
+variable        y0 equal 6.48541394011011
+
+set             atom $i x ${xnew}
+set             atom 68 x ${xnew}
+set             atom 68 x 3.80389782706386
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 68 y ${ynew}
+set             atom 68 y 6.40803216234674
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2546   -2.9871562    -2.698014   -2.6778952 
+    2547   -2.9871562    -2.698014   -2.6852409 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 68 x ${x0}
+set atom 68 x 3.8275111011613
+  1 settings made for x
+set atom $i y ${y0}
+set atom 68 y ${y0}
+set atom 68 y 6.48541394011011
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 38
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.09958864171057
+variable        y0 equal ${yi}
+variable        y0 equal 2.75573046180108
+
+set             atom $i x ${xnew}
+set             atom 38 x ${xnew}
+set             atom 38 x 9.14799176175146
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 38 y ${ynew}
+set             atom 38 y 2.74966537925103
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2547   -2.9871562    -2.698014   -2.6852409 
+    2548   -2.9871562    -2.698014   -2.6922106 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 38 x ${x0}
+set atom 38 x 9.09958864171057
+  1 settings made for x
+set atom $i y ${y0}
+set atom 38 y ${y0}
+set atom 38 y 2.75573046180108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.40156468867379
+variable        y0 equal ${yi}
+variable        y0 equal 0.00304889678955437
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.49694004773217
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y -0.0702461838722193
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2548   -2.9871562    -2.698014   -2.6922106 
+    2549   -2.9871562    -2.698014   -2.6808514 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 13 x ${x0}
+set atom 13 x 6.40156468867379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 13 y ${y0}
+set atom 13 y 0.00304889678955437
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.542552276054287
+variable        y0 equal ${yi}
+variable        y0 equal 2.78936891528467
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.637862213054562
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.74931192370752
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2549   -2.9871562    -2.698014   -2.6808514 
+    2550   -2.9871562    -2.698014   -2.6673197 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.542552276054287
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.78936891528467
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 99
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.7112571763861
+variable        y0 equal ${yi}
+variable        y0 equal 7.38156818475986
+
+set             atom $i x ${xnew}
+set             atom 99 x ${xnew}
+set             atom 99 x 9.81075823782562
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 99 y ${ynew}
+set             atom 99 y 7.42048241224552
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2550   -2.9871562    -2.698014   -2.6673197 
+    2551   -2.9871562    -2.698014   -2.6585309 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 99 x ${x0}
+set atom 99 x 9.7112571763861
+  1 settings made for x
+set atom $i y ${y0}
+set atom 99 y ${y0}
+set atom 99 y 7.38156818475986
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 75
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.52148601848851
+variable        y0 equal ${yi}
+variable        y0 equal 5.57813051884371
+
+set             atom $i x ${xnew}
+set             atom 75 x ${xnew}
+set             atom 75 x 7.53690113861333
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 75 y ${ynew}
+set             atom 75 y 5.60041694586474
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2551   -2.9871562    -2.698014   -2.6585309 
+    2552   -2.9871562    -2.698014   -2.6971636 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 75 x ${x0}
+set atom 75 x 7.52148601848851
+  1 settings made for x
+set atom $i y ${y0}
+set atom 75 y ${y0}
+set atom 75 y 5.57813051884371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 49
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.37311956961365
+variable        y0 equal ${yi}
+variable        y0 equal 3.73546738190782
+
+set             atom $i x ${xnew}
+set             atom 49 x ${xnew}
+set             atom 49 x 4.29980197031708
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 49 y ${ynew}
+set             atom 49 y 3.71884295506608
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2552   -2.9871562    -2.698014   -2.6971636 
+    2553   -2.9871562    -2.698014    -2.689947 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 49 x ${x0}
+set atom 49 x 4.37311956961365
+  1 settings made for x
+set atom $i y ${y0}
+set atom 49 y ${y0}
+set atom 49 y 3.73546738190782
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.27820665040876
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y -0.0742270112037684
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2553   -2.9871562    -2.698014    -2.689947 
+    2554   -2.9871562    -2.698014   -2.6742052 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 27
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.2013416862444
+variable        y0 equal ${yi}
+variable        y0 equal 1.98039417645997
+
+set             atom $i x ${xnew}
+set             atom 27 x ${xnew}
+set             atom 27 x 3.13897298335591
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 27 y ${ynew}
+set             atom 27 y 1.9303927459485
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2554   -2.9871562    -2.698014   -2.6742052 
+    2555   -2.9871562    -2.698014   -2.6858788 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 27 x ${x0}
+set atom 27 x 3.2013416862444
+  1 settings made for x
+set atom $i y ${y0}
+set atom 27 y ${y0}
+set atom 27 y 1.98039417645997
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 87
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.21955398082295
+variable        y0 equal ${yi}
+variable        y0 equal 7.40080375995898
+
+set             atom $i x ${xnew}
+set             atom 87 x ${xnew}
+set             atom 87 x 3.26613374709645
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 87 y ${ynew}
+set             atom 87 y 7.43164389457965
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2555   -2.9871562    -2.698014   -2.6858788 
+    2556   -2.9871562    -2.698014   -2.7006348 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.70063479489847
+variable naccept equal ${increment}
+variable naccept equal 451
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.12605889161282
+variable        y0 equal ${yi}
+variable        y0 equal 7.46482060280108
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.21953285058194
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.54418562975192
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2556   -2.9871562   -2.7006348   -2.7006348 
+    2557   -2.9871562   -2.7006348   -2.6377546 
+Loop time of 3.91006e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.12605889161282
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.46482060280108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 37
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.51648090043489
+variable        y0 equal ${yi}
+variable        y0 equal 1.84042694947785
+
+set             atom $i x ${xnew}
+set             atom 37 x ${xnew}
+set             atom 37 x 8.55357514777605
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 37 y ${ynew}
+set             atom 37 y 1.92715486667222
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2557   -2.9871562   -2.7006348   -2.6377546 
+    2558   -2.9871562   -2.7006348   -2.6766686 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 37 x ${x0}
+set atom 37 x 8.51648090043489
+  1 settings made for x
+set atom $i y ${y0}
+set atom 37 y ${y0}
+set atom 37 y 1.84042694947785
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.47742998122294
+variable        y0 equal ${yi}
+variable        y0 equal 3.76617543263566
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.40229851721842
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.7651808933748
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2558   -2.9871562   -2.7006348   -2.6766686 
+    2559   -2.9871562   -2.7006348    -2.689228 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 53 x ${x0}
+set atom 53 x 6.47742998122294
+  1 settings made for x
+set atom $i y ${y0}
+set atom 53 y ${y0}
+set atom 53 y 3.76617543263566
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 10
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.77766234516441
+variable        y0 equal ${yi}
+variable        y0 equal 0.927607925641864
+
+set             atom $i x ${xnew}
+set             atom 10 x ${xnew}
+set             atom 10 x 4.79551150440513
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 10 y ${ynew}
+set             atom 10 y 0.87845972369942
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2559   -2.9871562   -2.7006348    -2.689228 
+    2560   -2.9871562   -2.7006348   -2.6917273 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 10 x ${x0}
+set atom 10 x 4.77766234516441
+  1 settings made for x
+set atom $i y ${y0}
+set atom 10 y ${y0}
+set atom 10 y 0.927607925641864
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.78193971434718
+variable        y0 equal ${yi}
+variable        y0 equal 8.31736352361736
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.81128548899775
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.31695167936382
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2560   -2.9871562   -2.7006348   -2.6917273 
+    2561   -2.9871562   -2.7006348   -2.6980912 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.78193971434718
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.31736352361736
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 32
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.92034897763721
+variable        y0 equal ${yi}
+variable        y0 equal 2.80042437287667
+
+set             atom $i x ${xnew}
+set             atom 32 x ${xnew}
+set             atom 32 x 5.83175660331241
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 32 y ${ynew}
+set             atom 32 y 2.879074680532
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2561   -2.9871562   -2.7006348   -2.6980912 
+    2562   -2.9871562   -2.7006348   -2.5604699 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 32 x ${x0}
+set atom 32 x 5.92034897763721
+  1 settings made for x
+set atom $i y ${y0}
+set atom 32 y ${y0}
+set atom 32 y 2.80042437287667
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 43
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.11356125195676
+variable        y0 equal ${yi}
+variable        y0 equal 3.71681254668367
+
+set             atom $i x ${xnew}
+set             atom 43 x ${xnew}
+set             atom 43 x 1.12192881425077
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 43 y ${ynew}
+set             atom 43 y 3.70080264372957
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2562   -2.9871562   -2.7006348   -2.5604699 
+    2563   -2.9871562   -2.7006348   -2.6995958 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 43 x ${x0}
+set atom 43 x 1.11356125195676
+  1 settings made for x
+set atom $i y ${y0}
+set atom 43 y ${y0}
+set atom 43 y 3.71681254668367
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.40156468867379
+variable        y0 equal ${yi}
+variable        y0 equal 0.00304889678955437
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.39674942015725
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y -0.0597492098808253
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2563   -2.9871562   -2.7006348   -2.6995958 
+    2564   -2.9871562   -2.7006348   -2.6963255 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 13 x ${x0}
+set atom 13 x 6.40156468867379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 13 y ${y0}
+set atom 13 y 0.00304889678955437
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.96551856954089
+variable        y0 equal ${yi}
+variable        y0 equal 6.44962929026118
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 5.9971891279935
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.39527924791804
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2564   -2.9871562   -2.7006348   -2.6963255 
+    2565   -2.9871562   -2.7006348   -2.6895607 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 72 x ${x0}
+set atom 72 x 5.96551856954089
+  1 settings made for x
+set atom $i y ${y0}
+set atom 72 y ${y0}
+set atom 72 y 6.44962929026118
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.87285548408023
+variable        y0 equal ${yi}
+variable        y0 equal 8.36937119878825
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.78233742673389
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.37443318285045
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2565   -2.9871562   -2.7006348   -2.6895607 
+    2566   -2.9871562   -2.7006348   -2.6743015 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 92 x ${x0}
+set atom 92 x 5.87285548408023
+  1 settings made for x
+set atom $i y ${y0}
+set atom 92 y ${y0}
+set atom 92 y 8.36937119878825
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.00678724327727
+variable        y0 equal ${yi}
+variable        y0 equal 4.66030267828866
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 7.08966980257674
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.71512214297219
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2566   -2.9871562   -2.7006348   -2.6743015 
+    2567   -2.9871562   -2.7006348    -2.681152 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.00678724327727
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.66030267828866
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1851203922291
+variable        y0 equal ${yi}
+variable        y0 equal 0.955667336690753
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.2831909779568
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 1.02215185951027
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2567   -2.9871562   -2.7006348    -2.681152 
+    2568   -2.9871562   -2.7006348   -2.6647078 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 20 x ${x0}
+set atom 20 x 10.1851203922291
+  1 settings made for x
+set atom $i y ${y0}
+set atom 20 y ${y0}
+set atom 20 y 0.955667336690753
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.57288145302412
+variable        y0 equal ${yi}
+variable        y0 equal 3.68945432467593
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.52349410532591
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.60588275952472
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2568   -2.9871562   -2.7006348   -2.6647078 
+    2569   -2.9871562   -2.7006348   -2.6606655 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 59 x ${x0}
+set atom 59 x 9.57288145302412
+  1 settings made for x
+set atom $i y ${y0}
+set atom 59 y ${y0}
+set atom 59 y 3.68945432467593
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.89040735601722
+variable        y0 equal ${yi}
+variable        y0 equal 6.45623155371179
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.95194928287803
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.5126018597268
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2569   -2.9871562   -2.7006348   -2.6606655 
+    2570   -2.9871562   -2.7006348   -2.6862804 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 4.89040735601722
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.45623155371179
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 62
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.654104717174436
+variable        y0 equal ${yi}
+variable        y0 equal 6.49111358658304
+
+set             atom $i x ${xnew}
+set             atom 62 x ${xnew}
+set             atom 62 x 0.737294288078214
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 62 y ${ynew}
+set             atom 62 y 6.50633165375223
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2570   -2.9871562   -2.7006348   -2.6862804 
+    2571   -2.9871562   -2.7006348   -2.6676421 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 62 x ${x0}
+set atom 62 x 0.654104717174436
+  1 settings made for x
+set atom $i y ${y0}
+set atom 62 y ${y0}
+set atom 62 y 6.49111358658304
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 49
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.37311956961365
+variable        y0 equal ${yi}
+variable        y0 equal 3.73546738190782
+
+set             atom $i x ${xnew}
+set             atom 49 x ${xnew}
+set             atom 49 x 4.35138355572434
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 49 y ${ynew}
+set             atom 49 y 3.66874072117937
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2571   -2.9871562   -2.7006348   -2.6676421 
+    2572   -2.9871562   -2.7006348   -2.6815645 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 49 x ${x0}
+set atom 49 x 4.37311956961365
+  1 settings made for x
+set atom $i y ${y0}
+set atom 49 y ${y0}
+set atom 49 y 3.73546738190782
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 67
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.29802477120916
+variable        y0 equal ${yi}
+variable        y0 equal 5.57190024798112
+
+set             atom $i x ${xnew}
+set             atom 67 x ${xnew}
+set             atom 67 x 3.34885059356252
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 67 y ${ynew}
+set             atom 67 y 5.58310182039933
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2572   -2.9871562   -2.7006348   -2.6815645 
+    2573   -2.9871562   -2.7006348   -2.6950072 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 67 x ${x0}
+set atom 67 x 3.29802477120916
+  1 settings made for x
+set atom $i y ${y0}
+set atom 67 y ${y0}
+set atom 67 y 5.57190024798112
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.6009168970563
+variable        y0 equal ${yi}
+variable        y0 equal 0.937610264528124
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.54963209509631
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 0.855540295350878
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2573   -2.9871562   -2.7006348   -2.6950072 
+    2574   -2.9871562   -2.7006348   -2.6910874 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 4 x ${x0}
+set atom 4 x 1.6009168970563
+  1 settings made for x
+set atom $i y ${y0}
+set atom 4 y ${y0}
+set atom 4 y 0.937610264528124
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 63
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.09178573210888
+variable        y0 equal ${yi}
+variable        y0 equal 5.57776011173921
+
+set             atom $i x ${xnew}
+set             atom 63 x ${xnew}
+set             atom 63 x 1.10569001753979
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 63 y ${ynew}
+set             atom 63 y 5.63939816897111
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2574   -2.9871562   -2.7006348   -2.6910874 
+    2575   -2.9871562   -2.7006348   -2.6835747 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 63 x ${x0}
+set atom 63 x 1.09178573210888
+  1 settings made for x
+set atom $i y ${y0}
+set atom 63 y ${y0}
+set atom 63 y 5.57776011173921
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 42
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.500509889522458
+variable        y0 equal ${yi}
+variable        y0 equal 4.59161240214273
+
+set             atom $i x ${xnew}
+set             atom 42 x ${xnew}
+set             atom 42 x 0.584043617645169
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 42 y ${ynew}
+set             atom 42 y 4.55639323347971
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2575   -2.9871562   -2.7006348   -2.6835747 
+    2576   -2.9871562   -2.7006348   -2.6915681 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 42 x ${x0}
+set atom 42 x 0.500509889522458
+  1 settings made for x
+set atom $i y ${y0}
+set atom 42 y ${y0}
+set atom 42 y 4.59161240214273
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.41745940843489
+variable        y0 equal ${yi}
+variable        y0 equal 5.54884942715364
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.3473601738539
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.57445806210237
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2576   -2.9871562   -2.7006348   -2.6915681 
+    2577   -2.9871562   -2.7006348   -2.6841246 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 71 x ${x0}
+set atom 71 x 5.41745940843489
+  1 settings made for x
+set atom $i y ${y0}
+set atom 71 y ${y0}
+set atom 71 y 5.54884942715364
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.29028950968
+variable        y0 equal ${yi}
+variable        y0 equal 6.46599212423793
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.2349726323149
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.46799464956752
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2577   -2.9871562   -2.7006348   -2.6841246 
+    2578   -2.9871562   -2.7006348   -2.6946657 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 80 x ${x0}
+set atom 80 x 10.29028950968
+  1 settings made for x
+set atom $i y ${y0}
+set atom 80 y ${y0}
+set atom 80 y 6.46599212423793
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.23979663292276
+variable        y0 equal ${yi}
+variable        y0 equal 5.5713402385016
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.30197534004556
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.54876764958101
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2578   -2.9871562   -2.7006348   -2.6946657 
+    2579   -2.9871562   -2.7006348   -2.6798604 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 65 x ${x0}
+set atom 65 x 2.23979663292276
+  1 settings made for x
+set atom $i y ${y0}
+set atom 65 y ${y0}
+set atom 65 y 5.5713402385016
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 35
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.41105691034568
+variable        y0 equal ${yi}
+variable        y0 equal 1.86285059831208
+
+set             atom $i x ${xnew}
+set             atom 35 x ${xnew}
+set             atom 35 x 7.46691363889945
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 35 y ${ynew}
+set             atom 35 y 1.83050130984849
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2579   -2.9871562   -2.7006348   -2.6798604 
+    2580   -2.9871562   -2.7006348    -2.694572 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 35 x ${x0}
+set atom 35 x 7.41105691034568
+  1 settings made for x
+set atom $i y ${y0}
+set atom 35 y ${y0}
+set atom 35 y 1.86285059831208
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.95025718807079
+variable        y0 equal ${yi}
+variable        y0 equal 0.949378951299518
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 7.9284785330186
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 1.03043286393914
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2580   -2.9871562   -2.7006348    -2.694572 
+    2581   -2.9871562   -2.7006348   -2.6817646 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 16 x ${x0}
+set atom 16 x 7.95025718807079
+  1 settings made for x
+set atom $i y ${y0}
+set atom 16 y ${y0}
+set atom 16 y 0.949378951299518
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.98549635687515
+variable        y0 equal ${yi}
+variable        y0 equal 2.82734158011773
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 6.96506712713882
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.91911294432977
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2581   -2.9871562   -2.7006348   -2.6817646 
+    2582   -2.9871562   -2.7006348    -2.681941 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 34 x ${x0}
+set atom 34 x 6.98549635687515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 34 y ${y0}
+set atom 34 y 2.82734158011773
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.96551856954089
+variable        y0 equal ${yi}
+variable        y0 equal 6.44962929026118
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 6.02212908227435
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.52897243038645
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2582   -2.9871562   -2.7006348    -2.681941 
+    2583   -2.9871562   -2.7006348   -2.6866911 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 72 x ${x0}
+set atom 72 x 5.96551856954089
+  1 settings made for x
+set atom $i y ${y0}
+set atom 72 y ${y0}
+set atom 72 y 6.44962929026118
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 27
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.2013416862444
+variable        y0 equal ${yi}
+variable        y0 equal 1.98039417645997
+
+set             atom $i x ${xnew}
+set             atom 27 x ${xnew}
+set             atom 27 x 3.17962225436726
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 27 y ${ynew}
+set             atom 27 y 2.04807496450013
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2583   -2.9871562   -2.7006348   -2.6866911 
+    2584   -2.9871562   -2.7006348   -2.6783451 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 27 x ${x0}
+set atom 27 x 3.2013416862444
+  1 settings made for x
+set atom $i y ${y0}
+set atom 27 y ${y0}
+set atom 27 y 1.98039417645997
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.54984512486879
+variable        y0 equal ${yi}
+variable        y0 equal 3.69442252679001
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.58966868081514
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.69221943183075
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2584   -2.9871562   -2.7006348   -2.6783451 
+    2585   -2.9871562   -2.7006348   -2.6953982 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 57 x ${x0}
+set atom 57 x 8.54984512486879
+  1 settings made for x
+set atom $i y ${y0}
+set atom 57 y ${y0}
+set atom 57 y 3.69442252679001
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.87285548408023
+variable        y0 equal ${yi}
+variable        y0 equal 8.36937119878825
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.94838156659595
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.39943413652476
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2585   -2.9871562   -2.7006348   -2.6953982 
+    2586   -2.9871562   -2.7006348   -2.6948096 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 92 x ${x0}
+set atom 92 x 5.87285548408023
+  1 settings made for x
+set atom $i y ${y0}
+set atom 92 y ${y0}
+set atom 92 y 8.36937119878825
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 33
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.35099447487909
+variable        y0 equal ${yi}
+variable        y0 equal 1.92307773015564
+
+set             atom $i x ${xnew}
+set             atom 33 x ${xnew}
+set             atom 33 x 6.44518744467813
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 33 y ${ynew}
+set             atom 33 y 1.89759155891007
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2586   -2.9871562   -2.7006348   -2.6948096 
+    2587   -2.9871562   -2.7006348   -2.6934663 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 33 x ${x0}
+set atom 33 x 6.35099447487909
+  1 settings made for x
+set atom $i y ${y0}
+set atom 33 y ${y0}
+set atom 33 y 1.92307773015564
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59001860499163
+variable        y0 equal ${yi}
+variable        y0 equal 4.68076303357049
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.64809929013033
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.61340254897042
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2587   -2.9871562   -2.7006348   -2.6934663 
+    2588   -2.9871562   -2.7006348   -2.6945833 
+Loop time of 8.60691e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 44 x ${x0}
+set atom 44 x 1.59001860499163
+  1 settings made for x
+set atom $i y ${y0}
+set atom 44 y ${y0}
+set atom 44 y 4.68076303357049
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80759401837473
+variable        y0 equal ${yi}
+variable        y0 equal 4.6440585290806
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.78755337515955
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.65580582970545
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2588   -2.9871562   -2.7006348   -2.6945833 
+    2589   -2.9871562   -2.7006348   -2.6985824 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 48 x ${x0}
+set atom 48 x 3.80759401837473
+  1 settings made for x
+set atom $i y ${y0}
+set atom 48 y ${y0}
+set atom 48 y 4.6440585290806
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.12605889161282
+variable        y0 equal ${yi}
+variable        y0 equal 7.46482060280108
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.07443509419613
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.51801632967257
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2589   -2.9871562   -2.7006348   -2.6985824 
+    2590   -2.9871562   -2.7006348   -2.6948938 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.12605889161282
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.46482060280108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.96551856954089
+variable        y0 equal ${yi}
+variable        y0 equal 6.44962929026118
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 5.92684092481128
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.36417243019572
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2590   -2.9871562   -2.7006348   -2.6948938 
+    2591   -2.9871562   -2.7006348   -2.6717669 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 72 x ${x0}
+set atom 72 x 5.96551856954089
+  1 settings made for x
+set atom $i y ${y0}
+set atom 72 y ${y0}
+set atom 72 y 6.44962929026118
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31596373716261
+variable        y0 equal ${yi}
+variable        y0 equal 1.83819601914949
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.26395225921538
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 1.81124366900987
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2591   -2.9871562   -2.7006348   -2.6717669 
+    2592   -2.9871562   -2.7006348   -2.6902124 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 31 x ${x0}
+set atom 31 x 5.31596373716261
+  1 settings made for x
+set atom $i y ${y0}
+set atom 31 y ${y0}
+set atom 31 y 1.83819601914949
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.94641846377841
+variable        y0 equal ${yi}
+variable        y0 equal 4.67712874764368
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 5.87756260592929
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.6061620151417
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2592   -2.9871562   -2.7006348   -2.6902124 
+    2593   -2.9871562   -2.7006348   -2.6977179 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 52 x ${x0}
+set atom 52 x 5.94641846377841
+  1 settings made for x
+set atom $i y ${y0}
+set atom 52 y ${y0}
+set atom 52 y 4.67712874764368
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 12
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.84254707057468
+variable        y0 equal ${yi}
+variable        y0 equal 0.912364717233509
+
+set             atom $i x ${xnew}
+set             atom 12 x ${xnew}
+set             atom 12 x 5.88945846517078
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 12 y ${ynew}
+set             atom 12 y 0.881611307370991
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2593   -2.9871562   -2.7006348   -2.6977179 
+    2594   -2.9871562   -2.7006348   -2.6899308 
+Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 12 x ${x0}
+set atom 12 x 5.84254707057468
+  1 settings made for x
+set atom $i y ${y0}
+set atom 12 y ${y0}
+set atom 12 y 0.912364717233509
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 26
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.65179307659102
+variable        y0 equal ${yi}
+variable        y0 equal 2.85066882344583
+
+set             atom $i x ${xnew}
+set             atom 26 x ${xnew}
+set             atom 26 x 2.5671245237155
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 26 y ${ynew}
+set             atom 26 y 2.78788267346719
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2594   -2.9871562   -2.7006348   -2.6899308 
+    2595   -2.9871562   -2.7006348   -2.6759031 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 26 x ${x0}
+set atom 26 x 2.65179307659102
+  1 settings made for x
+set atom $i y ${y0}
+set atom 26 y ${y0}
+set atom 26 y 2.85066882344583
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.32252682526322
+variable        y0 equal ${yi}
+variable        y0 equal 7.38917808857226
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.35463644345017
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.42256514158511
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2595   -2.9871562   -2.7006348   -2.6759031 
+    2596   -2.9871562   -2.7006348   -2.6992857 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 89 x ${x0}
+set atom 89 x 4.32252682526322
+  1 settings made for x
+set atom $i y ${y0}
+set atom 89 y ${y0}
+set atom 89 y 7.38917808857226
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 49
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.37311956961365
+variable        y0 equal ${yi}
+variable        y0 equal 3.73546738190782
+
+set             atom $i x ${xnew}
+set             atom 49 x ${xnew}
+set             atom 49 x 4.39878770191879
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 49 y ${ynew}
+set             atom 49 y 3.68452413840425
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2596   -2.9871562   -2.7006348   -2.6992857 
+    2597   -2.9871562   -2.7006348   -2.6861069 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 49 x ${x0}
+set atom 49 x 4.37311956961365
+  1 settings made for x
+set atom $i y ${y0}
+set atom 49 y ${y0}
+set atom 49 y 3.73546738190782
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.6009168970563
+variable        y0 equal ${yi}
+variable        y0 equal 0.937610264528124
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.59496410965701
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 0.98112608979973
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2597   -2.9871562   -2.7006348   -2.6861069 
+    2598   -2.9871562   -2.7006348    -2.694682 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 4 x ${x0}
+set atom 4 x 1.6009168970563
+  1 settings made for x
+set atom $i y ${y0}
+set atom 4 y ${y0}
+set atom 4 y 0.937610264528124
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 32
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.92034897763721
+variable        y0 equal ${yi}
+variable        y0 equal 2.80042437287667
+
+set             atom $i x ${xnew}
+set             atom 32 x ${xnew}
+set             atom 32 x 5.82074961621753
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 32 y ${ynew}
+set             atom 32 y 2.86116967173913
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2598   -2.9871562   -2.7006348    -2.694682 
+    2599   -2.9871562   -2.7006348   -2.5798502 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 32 x ${x0}
+set atom 32 x 5.92034897763721
+  1 settings made for x
+set atom $i y ${y0}
+set atom 32 y ${y0}
+set atom 32 y 2.80042437287667
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0324913382529836
+variable        y0 equal ${yi}
+variable        y0 equal 5.50569564049439
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x -0.0635516285896678
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.41439078991608
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2599   -2.9871562   -2.7006348   -2.5798502 
+    2600   -2.9871562   -2.7006348   -2.6699839 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 61 x ${x0}
+set atom 61 x 0.0324913382529836
+  1 settings made for x
+set atom $i y ${y0}
+set atom 61 y ${y0}
+set atom 61 y 5.50569564049439
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.12605889161282
+variable        y0 equal ${yi}
+variable        y0 equal 7.46482060280108
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.21224615891629
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.4017136367824
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2600   -2.9871562   -2.7006348   -2.6699839 
+    2601   -2.9871562   -2.7006348   -2.6795513 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.12605889161282
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.46482060280108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 37
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.51648090043489
+variable        y0 equal ${yi}
+variable        y0 equal 1.84042694947785
+
+set             atom $i x ${xnew}
+set             atom 37 x ${xnew}
+set             atom 37 x 8.46533149638597
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 37 y ${ynew}
+set             atom 37 y 1.84132162711686
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2601   -2.9871562   -2.7006348   -2.6795513 
+    2602   -2.9871562   -2.7006348   -2.6949656 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 37 x ${x0}
+set atom 37 x 8.51648090043489
+  1 settings made for x
+set atom $i y ${y0}
+set atom 37 y ${y0}
+set atom 37 y 1.84042694947785
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.5055693610407
+variable        y0 equal ${yi}
+variable        y0 equal 0.0092600703239441
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.558701358626
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y 0.0242168188095093
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2602   -2.9871562   -2.7006348   -2.6949656 
+    2603   -2.9871562   -2.7006348   -2.6887503 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 15 x ${x0}
+set atom 15 x 7.5055693610407
+  1 settings made for x
+set atom $i y ${y0}
+set atom 15 y ${y0}
+set atom 15 y 0.0092600703239441
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 97
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.64328949609225
+variable        y0 equal ${yi}
+variable        y0 equal 7.40728055563236
+
+set             atom $i x ${xnew}
+set             atom 97 x ${xnew}
+set             atom 97 x 8.67711982884829
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 97 y ${ynew}
+set             atom 97 y 7.46412369337345
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2603   -2.9871562   -2.7006348   -2.6887503 
+    2604   -2.9871562   -2.7006348   -2.7046452 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.70464519472648
+variable naccept equal ${increment}
+variable naccept equal 452
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.29028950968
+variable        y0 equal ${yi}
+variable        y0 equal 6.46599212423793
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.3787669304869
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.50604328648082
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2604   -2.9871562   -2.7046452   -2.7046452 
+    2605   -2.9871562   -2.7046452   -2.6852269 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 80 x ${x0}
+set atom 80 x 10.29028950968
+  1 settings made for x
+set atom $i y ${y0}
+set atom 80 y ${y0}
+set atom 80 y 6.46599212423793
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0324913382529836
+variable        y0 equal ${yi}
+variable        y0 equal 5.50569564049439
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x 0.0419918060302358
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.43804975693421
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2605   -2.9871562   -2.7046452   -2.6852269 
+    2606   -2.9871562   -2.7046452   -2.6832073 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 61 x ${x0}
+set atom 61 x 0.0324913382529836
+  1 settings made for x
+set atom $i y ${y0}
+set atom 61 y ${y0}
+set atom 61 y 5.50569564049439
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.525174053111937
+variable        y0 equal ${yi}
+variable        y0 equal 0.894475575197066
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.535015495220091
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.810810240018691
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2606   -2.9871562   -2.7046452   -2.6832073 
+    2607   -2.9871562   -2.7046452   -2.6891419 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.525174053111937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 0.894475575197066
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.42980369408341
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.46108376925189
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2607   -2.9871562   -2.7046452   -2.6891419 
+    2608   -2.9871562   -2.7046452   -2.6668171 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.542552276054287
+variable        y0 equal ${yi}
+variable        y0 equal 2.78936891528467
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.572640962997341
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.70345852347711
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2608   -2.9871562   -2.7046452   -2.6668171 
+    2609   -2.9871562   -2.7046452   -2.6857567 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.542552276054287
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.78936891528467
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 56
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.10495061277249
+variable        y0 equal ${yi}
+variable        y0 equal 4.66507560366557
+
+set             atom $i x ${xnew}
+set             atom 56 x ${xnew}
+set             atom 56 x 8.18309224246838
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 56 y ${ynew}
+set             atom 56 y 4.70779266709254
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2609   -2.9871562   -2.7046452   -2.6857567 
+    2610   -2.9871562   -2.7046452   -2.6769771 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 56 x ${x0}
+set atom 56 x 8.10495061277249
+  1 settings made for x
+set atom $i y ${y0}
+set atom 56 y ${y0}
+set atom 56 y 4.66507560366557
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.542552276054287
+variable        y0 equal ${yi}
+variable        y0 equal 2.78936891528467
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.552168138423824
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.72173788520197
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2610   -2.9871562   -2.7046452   -2.6769771 
+    2611   -2.9871562   -2.7046452   -2.6954908 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.542552276054287
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.78936891528467
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.89040735601722
+variable        y0 equal ${yi}
+variable        y0 equal 6.45623155371179
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.98746696352302
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.41155855194559
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2611   -2.9871562   -2.7046452   -2.6954908 
+    2612   -2.9871562   -2.7046452   -2.6712565 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 4.89040735601722
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.45623155371179
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.2428034345236
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y -0.0612062573432947
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2612   -2.9871562   -2.7046452   -2.6712565 
+    2613   -2.9871562   -2.7046452    -2.669377 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 86
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.71264111001922
+variable        y0 equal ${yi}
+variable        y0 equal 8.37165092147884
+
+set             atom $i x ${xnew}
+set             atom 86 x ${xnew}
+set             atom 86 x 2.70592355926467
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 86 y ${ynew}
+set             atom 86 y 8.41815028108654
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2613   -2.9871562   -2.7046452    -2.669377 
+    2614   -2.9871562   -2.7046452   -2.7013655 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 86 x ${x0}
+set atom 86 x 2.71264111001922
+  1 settings made for x
+set atom $i y ${y0}
+set atom 86 y ${y0}
+set atom 86 y 8.37165092147884
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.82160441517171
+variable        y0 equal ${yi}
+variable        y0 equal 8.38617150701579
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.91230959533986
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.37542806781825
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2614   -2.9871562   -2.7046452   -2.7013655 
+    2615   -2.9871562   -2.7046452   -2.6818408 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 90 x ${x0}
+set atom 90 x 4.82160441517171
+  1 settings made for x
+set atom $i y ${y0}
+set atom 90 y ${y0}
+set atom 90 y 8.38617150701579
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 35
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.41105691034568
+variable        y0 equal ${yi}
+variable        y0 equal 1.86285059831208
+
+set             atom $i x ${xnew}
+set             atom 35 x ${xnew}
+set             atom 35 x 7.35859206754935
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 35 y ${ynew}
+set             atom 35 y 1.88430741212434
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2615   -2.9871562   -2.7046452   -2.6818408 
+    2616   -2.9871562   -2.7046452   -2.6948068 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 35 x ${x0}
+set atom 35 x 7.41105691034568
+  1 settings made for x
+set atom $i y ${y0}
+set atom 35 y ${y0}
+set atom 35 y 1.86285059831208
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.13902074734077
+variable        y0 equal ${yi}
+variable        y0 equal 9.29444277990191
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 2.13448198477134
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y 9.35304003465502
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2616   -2.9871562   -2.7046452   -2.6948068 
+    2617   -2.9871562   -2.7046452   -2.7009348 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 5 x ${x0}
+set atom 5 x 2.13902074734077
+  1 settings made for x
+set atom $i y ${y0}
+set atom 5 y ${y0}
+set atom 5 y 9.29444277990191
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59001860499163
+variable        y0 equal ${yi}
+variable        y0 equal 4.68076303357049
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.56837597965975
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.77653905505105
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2617   -2.9871562   -2.7046452   -2.7009348 
+    2618   -2.9871562   -2.7046452   -2.6647076 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 44 x ${x0}
+set atom 44 x 1.59001860499163
+  1 settings made for x
+set atom $i y ${y0}
+set atom 44 y ${y0}
+set atom 44 y 4.68076303357049
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.56843688645784
+variable        y0 equal ${yi}
+variable        y0 equal 5.60343744700151
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.65119221368257
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.56243050043779
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2618   -2.9871562   -2.7046452   -2.6647076 
+    2619   -2.9871562   -2.7046452   -2.6828524 
+Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 77 x ${x0}
+set atom 77 x 8.56843688645784
+  1 settings made for x
+set atom $i y ${y0}
+set atom 77 y ${y0}
+set atom 77 y 5.60343744700151
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.6009168970563
+variable        y0 equal ${yi}
+variable        y0 equal 0.937610264528124
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.53266681313296
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 0.898944528806536
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2619   -2.9871562   -2.7046452   -2.6828524 
+    2620   -2.9871562   -2.7046452   -2.6960184 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 4 x ${x0}
+set atom 4 x 1.6009168970563
+  1 settings made for x
+set atom $i y ${y0}
+set atom 4 y ${y0}
+set atom 4 y 0.937610264528124
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0324913382529836
+variable        y0 equal ${yi}
+variable        y0 equal 5.50569564049439
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x -0.0270819187164683
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.51889411156373
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2620   -2.9871562   -2.7046452   -2.6960184 
+    2621   -2.9871562   -2.7046452   -2.7048199 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.70481992988255
+variable naccept equal ${increment}
+variable naccept equal 453
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.95025718807079
+variable        y0 equal ${yi}
+variable        y0 equal 0.949378951299518
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 7.97054464219906
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 0.868297572839588
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2621   -2.9871562   -2.7048199   -2.7048199 
+    2622   -2.9871562   -2.7048199   -2.6913729 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 16 x ${x0}
+set atom 16 x 7.95025718807079
+  1 settings made for x
+set atom $i y ${y0}
+set atom 16 y ${y0}
+set atom 16 y 0.949378951299518
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 26
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.65179307659102
+variable        y0 equal ${yi}
+variable        y0 equal 2.85066882344583
+
+set             atom $i x ${xnew}
+set             atom 26 x ${xnew}
+set             atom 26 x 2.6904257078929
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 26 y ${ynew}
+set             atom 26 y 2.75636243792871
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2622   -2.9871562   -2.7048199   -2.6913729 
+    2623   -2.9871562   -2.7048199   -2.6692649 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 26 x ${x0}
+set atom 26 x 2.65179307659102
+  1 settings made for x
+set atom $i y ${y0}
+set atom 26 y ${y0}
+set atom 26 y 2.85066882344583
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.82160441517171
+variable        y0 equal ${yi}
+variable        y0 equal 8.38617150701579
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.84850091575917
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.41353768028315
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2623   -2.9871562   -2.7048199   -2.6692649 
+    2624   -2.9871562   -2.7048199   -2.6984721 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 90 x ${x0}
+set atom 90 x 4.82160441517171
+  1 settings made for x
+set atom $i y ${y0}
+set atom 90 y ${y0}
+set atom 90 y 8.38617150701579
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.16288858372719
+variable        y0 equal ${yi}
+variable        y0 equal 4.74496568793221
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 9.06848975140602
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.8065523182766
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2624   -2.9871562   -2.7048199   -2.6984721 
+    2625   -2.9871562   -2.7048199   -2.6557221 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 58 x ${x0}
+set atom 58 x 9.16288858372719
+  1 settings made for x
+set atom $i y ${y0}
+set atom 58 y ${y0}
+set atom 58 y 4.74496568793221
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.40156468867379
+variable        y0 equal ${yi}
+variable        y0 equal 0.00304889678955437
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.33254208087044
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y 0.0227779269218481
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2625   -2.9871562   -2.7048199   -2.6557221 
+    2626   -2.9871562   -2.7048199   -2.6930625 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 13 x ${x0}
+set atom 13 x 6.40156468867379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 13 y ${y0}
+set atom 13 y 0.00304889678955437
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 8
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.72890197554714
+variable        y0 equal ${yi}
+variable        y0 equal 1.0604893166903
+
+set             atom $i x ${xnew}
+set             atom 8 x ${xnew}
+set             atom 8 x 3.73674124995357
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 8 y ${ynew}
+set             atom 8 y 1.07919786762032
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2626   -2.9871562   -2.7048199   -2.6930625 
+    2627   -2.9871562   -2.7048199   -2.7003959 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 8 x ${x0}
+set atom 8 x 3.72890197554714
+  1 settings made for x
+set atom $i y ${y0}
+set atom 8 y ${y0}
+set atom 8 y 1.0604893166903
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.35495205322172
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y -0.091431069374087
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2627   -2.9871562   -2.7048199   -2.7003959 
+    2628   -2.9871562   -2.7048199   -2.6856073 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.12605889161282
+variable        y0 equal ${yi}
+variable        y0 equal 7.46482060280108
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.11725830157452
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.47841743555331
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2628   -2.9871562   -2.7048199   -2.6856073 
+    2629   -2.9871562   -2.7048199    -2.704375 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.12605889161282
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.46482060280108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 43
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.11356125195676
+variable        y0 equal ${yi}
+variable        y0 equal 3.71681254668367
+
+set             atom $i x ${xnew}
+set             atom 43 x ${xnew}
+set             atom 43 x 1.18245015462094
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 43 y ${ynew}
+set             atom 43 y 3.65810405774248
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2629   -2.9871562   -2.7048199    -2.704375 
+    2630   -2.9871562   -2.7048199   -2.6841672 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 43 x ${x0}
+set atom 43 x 1.11356125195676
+  1 settings made for x
+set atom $i y ${y0}
+set atom 43 y ${y0}
+set atom 43 y 3.71681254668367
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 66
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74727117021515
+variable        y0 equal ${yi}
+variable        y0 equal 6.50648560062877
+
+set             atom $i x ${xnew}
+set             atom 66 x ${xnew}
+set             atom 66 x 2.75945490796997
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 66 y ${ynew}
+set             atom 66 y 6.47566335932247
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2630   -2.9871562   -2.7048199   -2.6841672 
+    2631   -2.9871562   -2.7048199   -2.7030603 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.7030602545657
+variable naccept equal ${increment}
+variable naccept equal 454
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 78
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.15111655909569
+variable        y0 equal ${yi}
+variable        y0 equal 6.52915453449718
+
+set             atom $i x ${xnew}
+set             atom 78 x ${xnew}
+set             atom 78 x 9.13537685591728
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 78 y ${ynew}
+set             atom 78 y 6.61038380400173
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2631   -2.9871562   -2.7030603   -2.7030603 
+    2632   -2.9871562   -2.7030603   -2.6727153 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 78 x ${x0}
+set atom 78 x 9.15111655909569
+  1 settings made for x
+set atom $i y ${y0}
+set atom 78 y ${y0}
+set atom 78 y 6.52915453449718
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 87
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.26613374709645
+variable        y0 equal ${yi}
+variable        y0 equal 7.43164389457965
+
+set             atom $i x ${xnew}
+set             atom 87 x ${xnew}
+set             atom 87 x 3.362138137813
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 87 y ${ynew}
+set             atom 87 y 7.50452940788531
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2632   -2.9871562   -2.7030603   -2.6727153 
+    2633   -2.9871562   -2.7030603   -2.6309462 
+Loop time of 7.67708e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 87 x ${x0}
+set atom 87 x 3.26613374709645
+  1 settings made for x
+set atom $i y ${y0}
+set atom 87 y ${y0}
+set atom 87 y 7.43164389457965
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 78
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.15111655909569
+variable        y0 equal ${yi}
+variable        y0 equal 6.52915453449718
+
+set             atom $i x ${xnew}
+set             atom 78 x ${xnew}
+set             atom 78 x 9.14633041340859
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 78 y ${ynew}
+set             atom 78 y 6.60855509773723
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2633   -2.9871562   -2.7030603   -2.6309462 
+    2634   -2.9871562   -2.7030603   -2.6745678 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 78 x ${x0}
+set atom 78 x 9.15111655909569
+  1 settings made for x
+set atom $i y ${y0}
+set atom 78 y ${y0}
+set atom 78 y 6.52915453449718
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.29028950968
+variable        y0 equal ${yi}
+variable        y0 equal 6.46599212423793
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.1980445388815
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.36676827208034
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2634   -2.9871562   -2.7030603   -2.6745678 
+    2635   -2.9871562   -2.7030603   -2.6113513 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 80 x ${x0}
+set atom 80 x 10.29028950968
+  1 settings made for x
+set atom $i y ${y0}
+set atom 80 y ${y0}
+set atom 80 y 6.46599212423793
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 99
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.7112571763861
+variable        y0 equal ${yi}
+variable        y0 equal 7.38156818475986
+
+set             atom $i x ${xnew}
+set             atom 99 x ${xnew}
+set             atom 99 x 9.65731989620803
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 99 y ${ynew}
+set             atom 99 y 7.30741226997638
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2635   -2.9871562   -2.7030603   -2.6113513 
+    2636   -2.9871562   -2.7030603   -2.6610916 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 99 x ${x0}
+set atom 99 x 9.7112571763861
+  1 settings made for x
+set atom $i y ${y0}
+set atom 99 y ${y0}
+set atom 99 y 7.38156818475986
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.47742998122294
+variable        y0 equal ${yi}
+variable        y0 equal 3.76617543263566
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.3933114957722
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.79016564650666
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2636   -2.9871562   -2.7030603   -2.6610916 
+    2637   -2.9871562   -2.7030603   -2.6840348 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 53 x ${x0}
+set atom 53 x 6.47742998122294
+  1 settings made for x
+set atom $i y ${y0}
+set atom 53 y ${y0}
+set atom 53 y 3.76617543263566
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80759401837473
+variable        y0 equal ${yi}
+variable        y0 equal 4.6440585290806
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.84976321974878
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.70564747208521
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2637   -2.9871562   -2.7030603   -2.6840348 
+    2638   -2.9871562   -2.7030603   -2.6851701 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 48 x ${x0}
+set atom 48 x 3.80759401837473
+  1 settings made for x
+set atom $i y ${y0}
+set atom 48 y ${y0}
+set atom 48 y 4.6440585290806
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.98549635687515
+variable        y0 equal ${yi}
+variable        y0 equal 2.82734158011773
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 6.98761748352691
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.91910030814507
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2638   -2.9871562   -2.7030603   -2.6851701 
+    2639   -2.9871562   -2.7030603   -2.6852697 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 34 x ${x0}
+set atom 34 x 6.98549635687515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 34 y ${y0}
+set atom 34 y 2.82734158011773
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 99
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.7112571763861
+variable        y0 equal ${yi}
+variable        y0 equal 7.38156818475986
+
+set             atom $i x ${xnew}
+set             atom 99 x ${xnew}
+set             atom 99 x 9.64772825716613
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 99 y ${ynew}
+set             atom 99 y 7.35689802494312
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2639   -2.9871562   -2.7030603   -2.6852697 
+    2640   -2.9871562   -2.7030603   -2.6809284 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 99 x ${x0}
+set atom 99 x 9.7112571763861
+  1 settings made for x
+set atom $i y ${y0}
+set atom 99 y ${y0}
+set atom 99 y 7.38156818475986
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 50
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.90190082430182
+variable        y0 equal ${yi}
+variable        y0 equal 4.64044535511896
+
+set             atom $i x ${xnew}
+set             atom 50 x ${xnew}
+set             atom 50 x 4.92057361244498
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 50 y ${ynew}
+set             atom 50 y 4.60940848940775
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2640   -2.9871562   -2.7030603   -2.6809284 
+    2641   -2.9871562   -2.7030603   -2.7036524 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.70365237925636
+variable naccept equal ${increment}
+variable naccept equal 455
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 35
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.41105691034568
+variable        y0 equal ${yi}
+variable        y0 equal 1.86285059831208
+
+set             atom $i x ${xnew}
+set             atom 35 x ${xnew}
+set             atom 35 x 7.3122910006739
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 35 y ${ynew}
+set             atom 35 y 1.83196628472871
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2641   -2.9871562   -2.7036524   -2.7036524 
+    2642   -2.9871562   -2.7036524   -2.6697223 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 35 x ${x0}
+set atom 35 x 7.41105691034568
+  1 settings made for x
+set atom $i y ${y0}
+set atom 35 y ${y0}
+set atom 35 y 1.86285059831208
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.69106418092681
+variable        y0 equal ${yi}
+variable        y0 equal 0.920749815214004
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.73956649501754
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 1.00193682502541
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2642   -2.9871562   -2.7036524   -2.6697223 
+    2643   -2.9871562   -2.7036524   -2.6934608 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 6 x ${x0}
+set atom 6 x 2.69106418092681
+  1 settings made for x
+set atom $i y ${y0}
+set atom 6 y ${y0}
+set atom 6 y 0.920749815214004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 30
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.87783981203376
+variable        y0 equal ${yi}
+variable        y0 equal 2.82051414224007
+
+set             atom $i x ${xnew}
+set             atom 30 x ${xnew}
+set             atom 30 x 4.85706444620429
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 30 y ${ynew}
+set             atom 30 y 2.77346667023995
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2643   -2.9871562   -2.7036524   -2.6934608 
+    2644   -2.9871562   -2.7036524   -2.7088546 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.70885460622655
+variable naccept equal ${increment}
+variable naccept equal 456
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 56
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.10495061277249
+variable        y0 equal ${yi}
+variable        y0 equal 4.66507560366557
+
+set             atom $i x ${xnew}
+set             atom 56 x ${xnew}
+set             atom 56 x 8.05216715930798
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 56 y ${ynew}
+set             atom 56 y 4.64304670447276
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2644   -2.9871562   -2.7088546   -2.7088546 
+    2645   -2.9871562   -2.7088546   -2.7059721 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 56 x ${x0}
+set atom 56 x 8.10495061277249
+  1 settings made for x
+set atom $i y ${y0}
+set atom 56 y ${y0}
+set atom 56 y 4.66507560366557
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 10
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.77766234516441
+variable        y0 equal ${yi}
+variable        y0 equal 0.927607925641864
+
+set             atom $i x ${xnew}
+set             atom 10 x ${xnew}
+set             atom 10 x 4.80039609312355
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 10 y ${ynew}
+set             atom 10 y 0.83455754112038
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2645   -2.9871562   -2.7088546   -2.7059721 
+    2646   -2.9871562   -2.7088546   -2.6800889 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 10 x ${x0}
+set atom 10 x 4.77766234516441
+  1 settings made for x
+set atom $i y ${y0}
+set atom 10 y ${y0}
+set atom 10 y 0.927607925641864
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 30
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.85706444620429
+variable        y0 equal ${yi}
+variable        y0 equal 2.77346667023995
+
+set             atom $i x ${xnew}
+set             atom 30 x ${xnew}
+set             atom 30 x 4.78567788242637
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 30 y ${ynew}
+set             atom 30 y 2.75696754428246
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2646   -2.9871562   -2.7088546   -2.6800889 
+    2647   -2.9871562   -2.7088546   -2.6855561 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 30 x ${x0}
+set atom 30 x 4.85706444620429
+  1 settings made for x
+set atom $i y ${y0}
+set atom 30 y ${y0}
+set atom 30 y 2.77346667023995
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 41
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.7038741310291
+variable        y0 equal ${yi}
+variable        y0 equal 3.65389419360293
+
+set             atom $i x ${xnew}
+set             atom 41 x ${xnew}
+set             atom 41 x 10.7540793140583
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 41 y ${ynew}
+set             atom 41 y 3.69223694367541
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2647   -2.9871562   -2.7088546   -2.6855561 
+    2648   -2.9871562   -2.7088546   -2.7056937 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 41 x ${x0}
+set atom 41 x 10.7038741310291
+  1 settings made for x
+set atom $i y ${y0}
+set atom 41 y ${y0}
+set atom 41 y 3.65389419360293
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.42922221818829
+variable        y0 equal ${yi}
+variable        y0 equal 3.64031273884904
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.48251538673306
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.6992679910196
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2648   -2.9871562   -2.7088546   -2.7056937 
+    2649   -2.9871562   -2.7088546   -2.7124775 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.71247748777283
+variable naccept equal ${increment}
+variable naccept equal 457
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.48251538673306
+variable        y0 equal ${yi}
+variable        y0 equal 3.6992679910196
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.44444048801327
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.75813489718568
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2649   -2.9871562   -2.7124775   -2.7124775 
+    2650   -2.9871562   -2.7124775   -2.7156776 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.71567758564723
+variable naccept equal ${increment}
+variable naccept equal 458
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 33
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.35099447487909
+variable        y0 equal ${yi}
+variable        y0 equal 1.92307773015564
+
+set             atom $i x ${xnew}
+set             atom 33 x ${xnew}
+set             atom 33 x 6.32390024184305
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 33 y ${ynew}
+set             atom 33 y 1.92492269656723
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2650   -2.9871562   -2.7156776   -2.7156776 
+    2651   -2.9871562   -2.7156776   -2.7077537 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 33 x ${x0}
+set atom 33 x 6.35099447487909
+  1 settings made for x
+set atom $i y ${y0}
+set atom 33 y ${y0}
+set atom 33 y 1.92307773015564
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.32252682526322
+variable        y0 equal ${yi}
+variable        y0 equal 7.38917808857226
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.30362197239609
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.32080015268588
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2651   -2.9871562   -2.7156776   -2.7077537 
+    2652   -2.9871562   -2.7156776   -2.6952391 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 89 x ${x0}
+set atom 89 x 4.32252682526322
+  1 settings made for x
+set atom $i y ${y0}
+set atom 89 y ${y0}
+set atom 89 y 7.38917808857226
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.54984512486879
+variable        y0 equal ${yi}
+variable        y0 equal 3.69442252679001
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.57125539937441
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.75455953641068
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2652   -2.9871562   -2.7156776   -2.6952391 
+    2653   -2.9871562   -2.7156776    -2.711206 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 57 x ${x0}
+set atom 57 x 8.54984512486879
+  1 settings made for x
+set atom $i y ${y0}
+set atom 57 y ${y0}
+set atom 57 y 3.69442252679001
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 84
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.63794375538607
+variable        y0 equal ${yi}
+variable        y0 equal 8.371298693791
+
+set             atom $i x ${xnew}
+set             atom 84 x ${xnew}
+set             atom 84 x 1.56893776535769
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 84 y ${ynew}
+set             atom 84 y 8.42966240562495
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2653   -2.9871562   -2.7156776    -2.711206 
+    2654   -2.9871562   -2.7156776   -2.7074293 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 84 x ${x0}
+set atom 84 x 1.63794375538607
+  1 settings made for x
+set atom $i y ${y0}
+set atom 84 y ${y0}
+set atom 84 y 8.371298693791
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.13902074734077
+variable        y0 equal ${yi}
+variable        y0 equal 9.29444277990191
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 2.22536597887382
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y 9.23958830345004
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2654   -2.9871562   -2.7156776   -2.7074293 
+    2655   -2.9871562   -2.7156776   -2.6951242 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 5 x ${x0}
+set atom 5 x 2.13902074734077
+  1 settings made for x
+set atom $i y ${y0}
+set atom 5 y ${y0}
+set atom 5 y 9.29444277990191
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.78193971434718
+variable        y0 equal ${yi}
+variable        y0 equal 8.31736352361736
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.80285523453837
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.35734108604488
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2655   -2.9871562   -2.7156776   -2.6951242 
+    2656   -2.9871562   -2.7156776   -2.7170925 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.71709249824702
+variable naccept equal ${increment}
+variable naccept equal 459
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.542552276054287
+variable        y0 equal ${yi}
+variable        y0 equal 2.78936891528467
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.64038989106741
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.74501775475839
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2656   -2.9871562   -2.7170925   -2.7170925 
+    2657   -2.9871562   -2.7170925   -2.6836923 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.542552276054287
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.78936891528467
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.44444048801327
+variable        y0 equal ${yi}
+variable        y0 equal 3.75813489718568
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.39868607917691
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.67517432732713
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2657   -2.9871562   -2.7170925   -2.6836923 
+    2658   -2.9871562   -2.7170925   -2.7197189 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.71971890735215
+variable naccept equal ${increment}
+variable naccept equal 460
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.05432130693294
+variable        y0 equal ${yi}
+variable        y0 equal 8.31604041971262
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.0514173328767
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.32951669611032
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2658   -2.9871562   -2.7197189   -2.7197189 
+    2659   -2.9871562   -2.7197189   -2.7214696 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.7214696367236
+variable naccept equal ${increment}
+variable naccept equal 461
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.26957070906373
+variable        y0 equal ${yi}
+variable        y0 equal 1.93462480685777
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.25175436814042
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.86330255649156
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2659   -2.9871562   -2.7214696   -2.7214696 
+    2660   -2.9871562   -2.7214696   -2.7095906 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.26957070906373
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.93462480685777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.16288858372719
+variable        y0 equal ${yi}
+variable        y0 equal 4.74496568793221
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 9.21441050488503
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.73022846335335
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2660   -2.9871562   -2.7214696   -2.7095906 
+    2661   -2.9871562   -2.7214696   -2.7161403 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 58 x ${x0}
+set atom 58 x 9.16288858372719
+  1 settings made for x
+set atom $i y ${y0}
+set atom 58 y ${y0}
+set atom 58 y 4.74496568793221
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.87285548408023
+variable        y0 equal ${yi}
+variable        y0 equal 8.36937119878825
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.88735650737277
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.41617354072627
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2661   -2.9871562   -2.7214696   -2.7161403 
+    2662   -2.9871562   -2.7214696   -2.7178841 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 92 x ${x0}
+set atom 92 x 5.87285548408023
+  1 settings made for x
+set atom $i y ${y0}
+set atom 92 y ${y0}
+set atom 92 y 8.36937119878825
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.5878455599004
+variable        y0 equal ${yi}
+variable        y0 equal 9.28117802846759
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x 10.6275681813413
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 9.19288629997104
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2662   -2.9871562   -2.7214696   -2.7178841 
+    2663   -2.9871562   -2.7214696   -2.7136191 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 1 x ${x0}
+set atom 1 x 10.5878455599004
+  1 settings made for x
+set atom $i y ${y0}
+set atom 1 y ${y0}
+set atom 1 y 9.28117802846759
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.16288858372719
+variable        y0 equal ${yi}
+variable        y0 equal 4.74496568793221
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 9.13853420931847
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.77247737997933
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2663   -2.9871562   -2.7214696   -2.7136191 
+    2664   -2.9871562   -2.7214696   -2.7137026 
+Loop time of 8.29697e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 58 x ${x0}
+set atom 58 x 9.16288858372719
+  1 settings made for x
+set atom $i y ${y0}
+set atom 58 y ${y0}
+set atom 58 y 4.74496568793221
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 43
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.11356125195676
+variable        y0 equal ${yi}
+variable        y0 equal 3.71681254668367
+
+set             atom $i x ${xnew}
+set             atom 43 x ${xnew}
+set             atom 43 x 1.07957508881742
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 43 y ${ynew}
+set             atom 43 y 3.64464852376115
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2664   -2.9871562   -2.7214696   -2.7137026 
+    2665   -2.9871562   -2.7214696   -2.7113032 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 43 x ${x0}
+set atom 43 x 1.11356125195676
+  1 settings made for x
+set atom $i y ${y0}
+set atom 43 y ${y0}
+set atom 43 y 3.71681254668367
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 79
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.66362923859236
+variable        y0 equal ${yi}
+variable        y0 equal 5.65359488671022
+
+set             atom $i x ${xnew}
+set             atom 79 x ${xnew}
+set             atom 79 x 9.59424621342299
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 79 y ${ynew}
+set             atom 79 y 5.65730353539186
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2665   -2.9871562   -2.7214696   -2.7113032 
+    2666   -2.9871562   -2.7214696    -2.707505 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 79 x ${x0}
+set atom 79 x 9.66362923859236
+  1 settings made for x
+set atom $i y ${y0}
+set atom 79 y ${y0}
+set atom 79 y 5.65359488671022
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.18122052589761
+variable        y0 equal ${yi}
+variable        y0 equal 7.43532284822726
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.19763512054788
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.51957247581744
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2666   -2.9871562   -2.7214696    -2.707505 
+    2667   -2.9871562   -2.7214696   -2.7054381 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.18122052589761
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.43532284822726
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.32252682526322
+variable        y0 equal ${yi}
+variable        y0 equal 7.38917808857226
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.41373123009415
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.28942189541125
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2667   -2.9871562   -2.7214696   -2.7054381 
+    2668   -2.9871562   -2.7214696   -2.6675992 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 89 x ${x0}
+set atom 89 x 4.32252682526322
+  1 settings made for x
+set atom $i y ${y0}
+set atom 89 y ${y0}
+set atom 89 y 7.38917808857226
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.16921079794274
+variable        y0 equal ${yi}
+variable        y0 equal 1.86157575032777
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.07963643709527
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.77708725116319
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2668   -2.9871562   -2.7214696   -2.6675992 
+    2669   -2.9871562   -2.7214696    -2.694758 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.16921079794274
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.86157575032777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.68984863638659
+variable        y0 equal ${yi}
+variable        y0 equal 6.46641751066677
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.76970442414065
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.56419703499309
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2669   -2.9871562   -2.7214696    -2.694758 
+    2670   -2.9871562   -2.7214696   -2.6952803 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.68984863638659
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.46641751066677
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.40156468867379
+variable        y0 equal ${yi}
+variable        y0 equal 0.00304889678955437
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.34233012913781
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y -0.051255035400387
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2670   -2.9871562   -2.7214696   -2.6952803 
+    2671   -2.9871562   -2.7214696   -2.7102249 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 13 x ${x0}
+set atom 13 x 6.40156468867379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 13 y ${y0}
+set atom 13 y 0.00304889678955437
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.98599239308387
+variable        y0 equal ${yi}
+variable        y0 equal 0.925951715219346
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 8.93419921118766
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 0.93942206691536
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2671   -2.9871562   -2.7214696   -2.7102249 
+    2672   -2.9871562   -2.7214696   -2.7041786 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 18 x ${x0}
+set atom 18 x 8.98599239308387
+  1 settings made for x
+set atom $i y ${y0}
+set atom 18 y ${y0}
+set atom 18 y 0.925951715219346
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 33
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.35099447487909
+variable        y0 equal ${yi}
+variable        y0 equal 1.92307773015564
+
+set             atom $i x ${xnew}
+set             atom 33 x ${xnew}
+set             atom 33 x 6.30808935879785
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 33 y ${ynew}
+set             atom 33 y 1.93454616448944
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2672   -2.9871562   -2.7214696   -2.7041786 
+    2673   -2.9871562   -2.7214696   -2.7025284 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 33 x ${x0}
+set atom 33 x 6.35099447487909
+  1 settings made for x
+set atom $i y ${y0}
+set atom 33 y ${y0}
+set atom 33 y 1.92307773015564
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.81670362273342
+variable        y0 equal ${yi}
+variable        y0 equal 2.85977786752084
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.83093271771557
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.89053015681604
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2673   -2.9871562   -2.7214696   -2.7025284 
+    2674   -2.9871562   -2.7214696   -2.7157795 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.81670362273342
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.85977786752084
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 13
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.40156468867379
+variable        y0 equal ${yi}
+variable        y0 equal 0.00304889678955437
+
+set             atom $i x ${xnew}
+set             atom 13 x ${xnew}
+set             atom 13 x 6.36817613362389
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 13 y ${ynew}
+set             atom 13 y 0.0744795322418249
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2674   -2.9871562   -2.7214696   -2.7157795 
+    2675   -2.9871562   -2.7214696   -2.7041161 
+Loop time of 7.60555e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 13 x ${x0}
+set atom 13 x 6.40156468867379
+  1 settings made for x
+set atom $i y ${y0}
+set atom 13 y ${y0}
+set atom 13 y 0.00304889678955437
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.47742998122294
+variable        y0 equal ${yi}
+variable        y0 equal 3.76617543263566
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.57371679066737
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.76772266192567
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2675   -2.9871562   -2.7214696   -2.7041161 
+    2676   -2.9871562   -2.7214696   -2.6839855 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 53 x ${x0}
+set atom 53 x 6.47742998122294
+  1 settings made for x
+set atom $i y ${y0}
+set atom 53 y ${y0}
+set atom 53 y 3.76617543263566
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.6009168970563
+variable        y0 equal ${yi}
+variable        y0 equal 0.937610264528124
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.59732948422213
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 1.01469989608559
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2676   -2.9871562   -2.7214696   -2.6839855 
+    2677   -2.9871562   -2.7214696   -2.7058685 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 4 x ${x0}
+set atom 4 x 1.6009168970563
+  1 settings made for x
+set atom $i y ${y0}
+set atom 4 y ${y0}
+set atom 4 y 0.937610264528124
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 76
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.11976422666408
+variable        y0 equal ${yi}
+variable        y0 equal 6.57524594799509
+
+set             atom $i x ${xnew}
+set             atom 76 x ${xnew}
+set             atom 76 x 8.0438908040414
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 76 y ${ynew}
+set             atom 76 y 6.5764069153451
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2677   -2.9871562   -2.7214696   -2.7058685 
+    2678   -2.9871562   -2.7214696   -2.7163054 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 76 x ${x0}
+set atom 76 x 8.11976422666408
+  1 settings made for x
+set atom $i y ${y0}
+set atom 76 y ${y0}
+set atom 76 y 6.57524594799509
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.188491762068
+variable        y0 equal ${yi}
+variable        y0 equal 2.73674997063974
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.288448477175
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.64021456214288
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2678   -2.9871562   -2.7214696   -2.7163054 
+    2679   -2.9871562   -2.7214696   -2.6456524 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.188491762068
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.73674997063974
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.52396155435811
+variable        y0 equal ${yi}
+variable        y0 equal 3.76348131461275
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.53527552921544
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.71127284331453
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2679   -2.9871562   -2.7214696   -2.6456524 
+    2680   -2.9871562   -2.7214696   -2.7220096 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.72200962217294
+variable naccept equal ${increment}
+variable naccept equal 462
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.94641846377841
+variable        y0 equal ${yi}
+variable        y0 equal 4.67712874764368
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 5.9323459144353
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.75706758850977
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2680   -2.9871562   -2.7220096   -2.7220096 
+    2681   -2.9871562   -2.7220096   -2.6726973 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 52 x ${x0}
+set atom 52 x 5.94641846377841
+  1 settings made for x
+set atom $i y ${y0}
+set atom 52 y ${y0}
+set atom 52 y 4.67712874764368
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1851203922291
+variable        y0 equal ${yi}
+variable        y0 equal 0.955667336690753
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.1717276934643
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 0.945514078843921
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2681   -2.9871562   -2.7220096   -2.6726973 
+    2682   -2.9871562   -2.7220096    -2.722519 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.72251902619269
+variable naccept equal ${increment}
+variable naccept equal 463
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.82160441517171
+variable        y0 equal ${yi}
+variable        y0 equal 8.38617150701579
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.76486742138204
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.30197147049006
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2682   -2.9871562    -2.722519    -2.722519 
+    2683   -2.9871562    -2.722519   -2.7039505 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 90 x ${x0}
+set atom 90 x 4.82160441517171
+  1 settings made for x
+set atom $i y ${y0}
+set atom 90 y ${y0}
+set atom 90 y 8.38617150701579
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 35
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.41105691034568
+variable        y0 equal ${yi}
+variable        y0 equal 1.86285059831208
+
+set             atom $i x ${xnew}
+set             atom 35 x ${xnew}
+set             atom 35 x 7.47378132183326
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 35 y ${ynew}
+set             atom 35 y 1.91284848830765
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2683   -2.9871562    -2.722519   -2.7039505 
+    2684   -2.9871562    -2.722519   -2.7091312 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 35 x ${x0}
+set atom 35 x 7.41105691034568
+  1 settings made for x
+set atom $i y ${y0}
+set atom 35 y ${y0}
+set atom 35 y 1.86285059831208
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 99
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.7112571763861
+variable        y0 equal ${yi}
+variable        y0 equal 7.38156818475986
+
+set             atom $i x ${xnew}
+set             atom 99 x ${xnew}
+set             atom 99 x 9.740433256613
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 99 y ${ynew}
+set             atom 99 y 7.30608580436969
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2684   -2.9871562    -2.722519   -2.7091312 
+    2685   -2.9871562    -2.722519   -2.7070746 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 99 x ${x0}
+set atom 99 x 9.7112571763861
+  1 settings made for x
+set atom $i y ${y0}
+set atom 99 y ${y0}
+set atom 99 y 7.38156818475986
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 66
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.75945490796997
+variable        y0 equal ${yi}
+variable        y0 equal 6.47566335932247
+
+set             atom $i x ${xnew}
+set             atom 66 x ${xnew}
+set             atom 66 x 2.73466015060379
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 66 y ${ynew}
+set             atom 66 y 6.38922335640423
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2685   -2.9871562    -2.722519   -2.7070746 
+    2686   -2.9871562    -2.722519   -2.6887709 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 66 x ${x0}
+set atom 66 x 2.75945490796997
+  1 settings made for x
+set atom $i y ${y0}
+set atom 66 y ${y0}
+set atom 66 y 6.47566335932247
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 66
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.75945490796997
+variable        y0 equal ${yi}
+variable        y0 equal 6.47566335932247
+
+set             atom $i x ${xnew}
+set             atom 66 x ${xnew}
+set             atom 66 x 2.83711492021515
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 66 y ${ynew}
+set             atom 66 y 6.56790925995342
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2686   -2.9871562    -2.722519   -2.6887709 
+    2687   -2.9871562    -2.722519   -2.6961936 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 66 x ${x0}
+set atom 66 x 2.75945490796997
+  1 settings made for x
+set atom $i y ${y0}
+set atom 66 y ${y0}
+set atom 66 y 6.47566335932247
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 73
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.49270002364235
+variable        y0 equal ${yi}
+variable        y0 equal 5.51694749539096
+
+set             atom $i x ${xnew}
+set             atom 73 x ${xnew}
+set             atom 73 x 6.49794888018685
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 73 y ${ynew}
+set             atom 73 y 5.57422027533252
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2687   -2.9871562    -2.722519   -2.6961936 
+    2688   -2.9871562    -2.722519   -2.7294276 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.72942759381766
+variable naccept equal ${increment}
+variable naccept equal 464
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 43
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.11356125195676
+variable        y0 equal ${yi}
+variable        y0 equal 3.71681254668367
+
+set             atom $i x ${xnew}
+set             atom 43 x ${xnew}
+set             atom 43 x 1.14863796551877
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 43 y ${ynew}
+set             atom 43 y 3.75852446122301
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2688   -2.9871562   -2.7294276   -2.7294276 
+    2689   -2.9871562   -2.7294276   -2.7223753 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 43 x ${x0}
+set atom 43 x 1.11356125195676
+  1 settings made for x
+set atom $i y ${y0}
+set atom 43 y ${y0}
+set atom 43 y 3.71681254668367
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.542552276054287
+variable        y0 equal ${yi}
+variable        y0 equal 2.78936891528467
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.464358873763943
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.84546110602716
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2689   -2.9871562   -2.7294276   -2.7223753 
+    2690   -2.9871562   -2.7294276   -2.7034617 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.542552276054287
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.78936891528467
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.188491762068
+variable        y0 equal ${yi}
+variable        y0 equal 2.73674997063974
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.1299801353476
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.75316406461099
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2690   -2.9871562   -2.7294276   -2.7034617 
+    2691   -2.9871562   -2.7294276   -2.7284565 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.72845649066357
+variable naccept equal ${increment}
+variable naccept equal 465
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.68984863638659
+variable        y0 equal ${yi}
+variable        y0 equal 6.46641751066677
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.72472916722079
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.4376760794305
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2691   -2.9871562   -2.7284565   -2.7284565 
+    2692   -2.9871562   -2.7284565    -2.722133 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.68984863638659
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.46641751066677
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.12605889161282
+variable        y0 equal ${yi}
+variable        y0 equal 7.46482060280108
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.07568526585751
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.49030645218157
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2692   -2.9871562   -2.7284565    -2.722133 
+    2693   -2.9871562   -2.7284565    -2.726817 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.12605889161282
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.46482060280108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.23979663292276
+variable        y0 equal ${yi}
+variable        y0 equal 5.5713402385016
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.25321313778268
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.64288129751878
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2693   -2.9871562   -2.7284565    -2.726817 
+    2694   -2.9871562   -2.7284565   -2.7091348 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 65 x ${x0}
+set atom 65 x 2.23979663292276
+  1 settings made for x
+set atom $i y ${y0}
+set atom 65 y ${y0}
+set atom 65 y 5.5713402385016
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.87285548408023
+variable        y0 equal ${yi}
+variable        y0 equal 8.36937119878825
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.93159664828769
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.38791520513591
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2694   -2.9871562   -2.7284565   -2.7091348 
+    2695   -2.9871562   -2.7284565   -2.7264851 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 92 x ${x0}
+set atom 92 x 5.87285548408023
+  1 settings made for x
+set atom $i y ${y0}
+set atom 92 y ${y0}
+set atom 92 y 8.36937119878825
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.98549635687515
+variable        y0 equal ${yi}
+variable        y0 equal 2.82734158011773
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 7.01392143049881
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.84441063376763
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2695   -2.9871562   -2.7284565   -2.7264851 
+    2696   -2.9871562   -2.7284565    -2.721737 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 34 x ${x0}
+set atom 34 x 6.98549635687515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 34 y ${y0}
+set atom 34 y 2.82734158011773
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 39
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.58521930454847
+variable        y0 equal ${yi}
+variable        y0 equal 1.81828533790177
+
+set             atom $i x ${xnew}
+set             atom 39 x ${xnew}
+set             atom 39 x 9.5387643384802
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 39 y ${ynew}
+set             atom 39 y 1.8785629310376
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2696   -2.9871562   -2.7284565    -2.721737 
+    2697   -2.9871562   -2.7284565   -2.7114301 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 39 x ${x0}
+set atom 39 x 9.58521930454847
+  1 settings made for x
+set atom $i y ${y0}
+set atom 39 y ${y0}
+set atom 39 y 1.81828533790177
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.16921079794274
+variable        y0 equal ${yi}
+variable        y0 equal 1.86157575032777
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.1386444155346
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.79810808084077
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2697   -2.9871562   -2.7284565   -2.7114301 
+    2698   -2.9871562   -2.7284565   -2.7214259 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.16921079794274
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.86157575032777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 73
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.49794888018685
+variable        y0 equal ${yi}
+variable        y0 equal 5.57422027533252
+
+set             atom $i x ${xnew}
+set             atom 73 x ${xnew}
+set             atom 73 x 6.45296607731896
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 73 y ${ynew}
+set             atom 73 y 5.47534122412402
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2698   -2.9871562   -2.7284565   -2.7214259 
+    2699   -2.9871562   -2.7284565   -2.6965643 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 73 x ${x0}
+set atom 73 x 6.49794888018685
+  1 settings made for x
+set atom $i y ${y0}
+set atom 73 y ${y0}
+set atom 73 y 5.57422027533252
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.39868607917691
+variable        y0 equal ${yi}
+variable        y0 equal 3.67517432732713
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.42402232089902
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.68856803937089
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2699   -2.9871562   -2.7284565   -2.6965643 
+    2700   -2.9871562   -2.7284565    -2.731106 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.73110597485438
+variable naccept equal ${increment}
+variable naccept equal 466
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 95
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.50331240732442
+variable        y0 equal ${yi}
+variable        y0 equal 7.44483136263156
+
+set             atom $i x ${xnew}
+set             atom 95 x ${xnew}
+set             atom 95 x 7.51303257782231
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 95 y ${ynew}
+set             atom 95 y 7.52597594585681
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2700   -2.9871562    -2.731106    -2.731106 
+    2701   -2.9871562    -2.731106   -2.7058763 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 95 x ${x0}
+set atom 95 x 7.50331240732442
+  1 settings made for x
+set atom $i y ${y0}
+set atom 95 y ${y0}
+set atom 95 y 7.44483136263156
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 15
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.5055693610407
+variable        y0 equal ${yi}
+variable        y0 equal 0.0092600703239441
+
+set             atom $i x ${xnew}
+set             atom 15 x ${xnew}
+set             atom 15 x 7.40937424738179
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 15 y ${ynew}
+set             atom 15 y -0.00800001621246337
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2701   -2.9871562    -2.731106   -2.7058763 
+    2702   -2.9871562    -2.731106   -2.7214321 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 15 x ${x0}
+set atom 15 x 7.5055693610407
+  1 settings made for x
+set atom $i y ${y0}
+set atom 15 y ${y0}
+set atom 15 y 0.0092600703239441
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 72
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.96551856954089
+variable        y0 equal ${yi}
+variable        y0 equal 6.44962929026118
+
+set             atom $i x ${xnew}
+set             atom 72 x ${xnew}
+set             atom 72 x 6.00215858180514
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 72 y ${ynew}
+set             atom 72 y 6.47153796688548
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2702   -2.9871562    -2.731106   -2.7214321 
+    2703   -2.9871562    -2.731106   -2.7294075 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 72 x ${x0}
+set atom 72 x 5.96551856954089
+  1 settings made for x
+set atom $i y ${y0}
+set atom 72 y ${y0}
+set atom 72 y 6.44962929026118
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 6
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.69106418092681
+variable        y0 equal ${yi}
+variable        y0 equal 0.920749815214004
+
+set             atom $i x ${xnew}
+set             atom 6 x ${xnew}
+set             atom 6 x 2.66547602613402
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 6 y ${ynew}
+set             atom 6 y 0.998434432256545
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2703   -2.9871562    -2.731106   -2.7294075 
+    2704   -2.9871562    -2.731106   -2.7253365 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 6 x ${x0}
+set atom 6 x 2.69106418092681
+  1 settings made for x
+set atom $i y ${y0}
+set atom 6 y ${y0}
+set atom 6 y 0.920749815214004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 32
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.92034897763721
+variable        y0 equal ${yi}
+variable        y0 equal 2.80042437287667
+
+set             atom $i x ${xnew}
+set             atom 32 x ${xnew}
+set             atom 32 x 5.87786971290103
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 32 y ${ynew}
+set             atom 32 y 2.74551259251931
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2704   -2.9871562    -2.731106   -2.7253365 
+    2705   -2.9871562    -2.731106   -2.7163387 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 32 x ${x0}
+set atom 32 x 5.92034897763721
+  1 settings made for x
+set atom $i y ${y0}
+set atom 32 y ${y0}
+set atom 32 y 2.80042437287667
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 68
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.8275111011613
+variable        y0 equal ${yi}
+variable        y0 equal 6.48541394011011
+
+set             atom $i x ${xnew}
+set             atom 68 x ${xnew}
+set             atom 68 x 3.84298044959193
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 68 y ${ynew}
+set             atom 68 y 6.49260471598139
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2705   -2.9871562    -2.731106   -2.7163387 
+    2706   -2.9871562    -2.731106   -2.7294478 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 68 x ${x0}
+set atom 68 x 3.8275111011613
+  1 settings made for x
+set atom $i y ${y0}
+set atom 68 y ${y0}
+set atom 68 y 6.48541394011011
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 81
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0322040319442937
+variable        y0 equal ${yi}
+variable        y0 equal 7.38692112293505
+
+set             atom $i x ${xnew}
+set             atom 81 x ${xnew}
+set             atom 81 x 0.0764795422554204
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 81 y ${ynew}
+set             atom 81 y 7.37272928085589
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2706   -2.9871562    -2.731106   -2.7294478 
+    2707   -2.9871562    -2.731106   -2.7290627 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 81 x ${x0}
+set atom 81 x 0.0322040319442937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 81 y ${y0}
+set atom 81 y 7.38692112293505
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.12605889161282
+variable        y0 equal ${yi}
+variable        y0 equal 7.46482060280108
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.16764707883053
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.41679591264987
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2707   -2.9871562    -2.731106   -2.7290627 
+    2708   -2.9871562    -2.731106   -2.7256972 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.12605889161282
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.46482060280108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.4093781359932
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.56035293286044
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2708   -2.9871562    -2.731106   -2.7256972 
+    2709   -2.9871562    -2.731106   -2.7239929 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.19388546387063
+variable        y0 equal ${yi}
+variable        y0 equal 3.77270575328004
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.23357237020837
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.79704995913636
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2709   -2.9871562    -2.731106   -2.7239929 
+    2710   -2.9871562    -2.731106   -2.7220537 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 45 x ${x0}
+set atom 45 x 2.19388546387063
+  1 settings made for x
+set atom $i y ${y0}
+set atom 45 y ${y0}
+set atom 45 y 3.77270575328004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 12
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.84254707057468
+variable        y0 equal ${yi}
+variable        y0 equal 0.912364717233509
+
+set             atom $i x ${xnew}
+set             atom 12 x ${xnew}
+set             atom 12 x 5.92326618392459
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 12 y ${ynew}
+set             atom 12 y 0.857952364194721
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2710   -2.9871562    -2.731106   -2.7220537 
+    2711   -2.9871562    -2.731106   -2.6992529 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 12 x ${x0}
+set atom 12 x 5.84254707057468
+  1 settings made for x
+set atom $i y ${y0}
+set atom 12 y ${y0}
+set atom 12 y 0.912364717233509
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 24
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59829139590045
+variable        y0 equal ${yi}
+variable        y0 equal 2.77385951253275
+
+set             atom $i x ${xnew}
+set             atom 24 x ${xnew}
+set             atom 24 x 1.55340592741748
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 24 y ${ynew}
+set             atom 24 y 2.80287414761881
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2711   -2.9871562    -2.731106   -2.6992529 
+    2712   -2.9871562    -2.731106   -2.7230038 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 24 x ${x0}
+set atom 24 x 1.59829139590045
+  1 settings made for x
+set atom $i y ${y0}
+set atom 24 y ${y0}
+set atom 24 y 2.77385951253275
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 21
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.7447922309093
+variable        y0 equal ${yi}
+variable        y0 equal 1.85953156135149
+
+set             atom $i x ${xnew}
+set             atom 21 x ${xnew}
+set             atom 21 x 10.7785144766025
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 21 y ${ynew}
+set             atom 21 y 1.91773183724947
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2712   -2.9871562    -2.731106   -2.7230038 
+    2713   -2.9871562    -2.731106    -2.720688 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 21 x ${x0}
+set atom 21 x 10.7447922309093
+  1 settings made for x
+set atom $i y ${y0}
+set atom 21 y ${y0}
+set atom 21 y 1.85953156135149
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.29028950968
+variable        y0 equal ${yi}
+variable        y0 equal 6.46599212423793
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.2404472235701
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.389216346898
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2713   -2.9871562    -2.731106    -2.720688 
+    2714   -2.9871562    -2.731106   -2.6913327 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 80 x ${x0}
+set atom 80 x 10.29028950968
+  1 settings made for x
+set atom $i y ${y0}
+set atom 80 y ${y0}
+set atom 80 y 6.46599212423793
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.31721924622269
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.62326985542972
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2714   -2.9871562    -2.731106   -2.6913327 
+    2715   -2.9871562    -2.731106   -2.7133827 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.525174053111937
+variable        y0 equal ${yi}
+variable        y0 equal 0.894475575197066
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.612135000625517
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.805140944230879
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2715   -2.9871562    -2.731106   -2.7133827 
+    2716   -2.9871562    -2.731106    -2.682904 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.525174053111937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 0.894475575197066
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.28515384276124
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.4428104872008
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2716   -2.9871562    -2.731106    -2.682904 
+    2717   -2.9871562    -2.731106   -2.6825629 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.718617399519
+variable        y0 equal ${yi}
+variable        y0 equal 5.51889411156373
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x 10.6222172935657
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.56380438749986
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2717   -2.9871562    -2.731106   -2.6825629 
+    2718   -2.9871562    -2.731106   -2.6890035 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 61 x ${x0}
+set atom 61 x 10.718617399519
+  1 settings made for x
+set atom $i y ${y0}
+set atom 61 y ${y0}
+set atom 61 y 5.51889411156373
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 68
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.8275111011613
+variable        y0 equal ${yi}
+variable        y0 equal 6.48541394011011
+
+set             atom $i x ${xnew}
+set             atom 68 x ${xnew}
+set             atom 68 x 3.73718843976146
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 68 y ${ynew}
+set             atom 68 y 6.50781034962168
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2718   -2.9871562    -2.731106   -2.6890035 
+    2719   -2.9871562    -2.731106   -2.7139746 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 68 x ${x0}
+set atom 68 x 3.8275111011613
+  1 settings made for x
+set atom $i y ${y0}
+set atom 68 y ${y0}
+set atom 68 y 6.48541394011011
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.718617399519
+variable        y0 equal ${yi}
+variable        y0 equal 5.51889411156373
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x 10.7244650800877
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.51692237799363
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2719   -2.9871562    -2.731106   -2.7139746 
+    2720   -2.9871562    -2.731106   -2.7316597 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.73165971135672
+variable naccept equal ${increment}
+variable naccept equal 467
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80285523453837
+variable        y0 equal ${yi}
+variable        y0 equal 8.35734108604488
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.86322336712962
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.34620171703395
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2720   -2.9871562   -2.7316597   -2.7316597 
+    2721   -2.9871562   -2.7316597   -2.7113999 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.80285523453837
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.35734108604488
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 19
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.57771970509168
+variable        y0 equal ${yi}
+variable        y0 equal 0.0528771042823788
+
+set             atom $i x ${xnew}
+set             atom 19 x ${xnew}
+set             atom 19 x 9.55914769648191
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 19 y ${ynew}
+set             atom 19 y -0.0269455552101139
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2721   -2.9871562   -2.7316597   -2.7113999 
+    2722   -2.9871562   -2.7316597    -2.727167 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 19 x ${x0}
+set atom 19 x 9.57771970509168
+  1 settings made for x
+set atom $i y ${y0}
+set atom 19 y ${y0}
+set atom 19 y 0.0528771042823788
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.56843688645784
+variable        y0 equal ${yi}
+variable        y0 equal 5.60343744700151
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.60149228730623
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.64612317030626
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2722   -2.9871562   -2.7316597    -2.727167 
+    2723   -2.9871562   -2.7316597   -2.7316113 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.73161129658651
+variable naccept equal ${increment}
+variable naccept equal 468
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 66
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.75945490796997
+variable        y0 equal ${yi}
+variable        y0 equal 6.47566335932247
+
+set             atom $i x ${xnew}
+set             atom 66 x ${xnew}
+set             atom 66 x 2.71603453357651
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 66 y ${ynew}
+set             atom 66 y 6.51483389870159
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2723   -2.9871562   -2.7316113   -2.7316113 
+    2724   -2.9871562   -2.7316113    -2.730391 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 66 x ${x0}
+set atom 66 x 2.75945490796997
+  1 settings made for x
+set atom $i y ${y0}
+set atom 66 y ${y0}
+set atom 66 y 6.47566335932247
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 76
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.11976422666408
+variable        y0 equal ${yi}
+variable        y0 equal 6.57524594799509
+
+set             atom $i x ${xnew}
+set             atom 76 x ${xnew}
+set             atom 76 x 8.0613916098962
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 76 y ${ynew}
+set             atom 76 y 6.54508387581339
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2724   -2.9871562   -2.7316113    -2.730391 
+    2725   -2.9871562   -2.7316113   -2.7321349 
+Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.73213485394995
+variable naccept equal ${increment}
+variable naccept equal 469
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.525174053111937
+variable        y0 equal ${yi}
+variable        y0 equal 0.894475575197066
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.592343135276701
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.982763834703292
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2725   -2.9871562   -2.7321349   -2.7321349 
+    2726   -2.9871562   -2.7321349   -2.7130247 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.525174053111937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 0.894475575197066
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 38
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.09958864171057
+variable        y0 equal ${yi}
+variable        y0 equal 2.75573046180108
+
+set             atom $i x ${xnew}
+set             atom 38 x ${xnew}
+set             atom 38 x 9.10391168314963
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 38 y ${ynew}
+set             atom 38 y 2.74828683110574
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2726   -2.9871562   -2.7321349   -2.7130247 
+    2727   -2.9871562   -2.7321349   -2.7314609 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 38 x ${x0}
+set atom 38 x 9.09958864171057
+  1 settings made for x
+set atom $i y ${y0}
+set atom 38 y ${y0}
+set atom 38 y 2.75573046180108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 84
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.63794375538607
+variable        y0 equal ${yi}
+variable        y0 equal 8.371298693791
+
+set             atom $i x ${xnew}
+set             atom 84 x ${xnew}
+set             atom 84 x 1.66893596529742
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 84 y ${ynew}
+set             atom 84 y 8.28350702442225
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2727   -2.9871562   -2.7321349   -2.7314609 
+    2728   -2.9871562   -2.7321349   -2.7085349 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 84 x ${x0}
+set atom 84 x 1.63794375538607
+  1 settings made for x
+set atom $i y ${y0}
+set atom 84 y ${y0}
+set atom 84 y 8.371298693791
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 87
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.26613374709645
+variable        y0 equal ${yi}
+variable        y0 equal 7.43164389457965
+
+set             atom $i x ${xnew}
+set             atom 87 x ${xnew}
+set             atom 87 x 3.34225657939473
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 87 y ${ynew}
+set             atom 87 y 7.35520155754352
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2728   -2.9871562   -2.7321349   -2.7085349 
+    2729   -2.9871562   -2.7321349    -2.706921 
+Loop time of 7.70092e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 87 x ${x0}
+set atom 87 x 3.26613374709645
+  1 settings made for x
+set atom $i y ${y0}
+set atom 87 y ${y0}
+set atom 87 y 7.43164389457965
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.89040735601722
+variable        y0 equal ${yi}
+variable        y0 equal 6.45623155371179
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.90360141634284
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.36804841295709
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2729   -2.9871562   -2.7321349    -2.706921 
+    2730   -2.9871562   -2.7321349   -2.7059429 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 4.89040735601722
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.45623155371179
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.95025718807079
+variable        y0 equal ${yi}
+variable        y0 equal 0.949378951299518
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 7.97048038839199
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 0.910359640825122
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2730   -2.9871562   -2.7321349   -2.7059429 
+    2731   -2.9871562   -2.7321349   -2.7288805 
+Loop time of 8.29697e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 16 x ${x0}
+set atom 16 x 7.95025718807079
+  1 settings made for x
+set atom $i y ${y0}
+set atom 16 y ${y0}
+set atom 16 y 0.949378951299518
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.42402232089902
+variable        y0 equal ${yi}
+variable        y0 equal 3.68856803937089
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.32488053241635
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.69662285609376
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2731   -2.9871562   -2.7321349   -2.7288805 
+    2732   -2.9871562   -2.7321349   -2.7023229 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 51 x ${x0}
+set atom 51 x 5.42402232089902
+  1 settings made for x
+set atom $i y ${y0}
+set atom 51 y ${y0}
+set atom 51 y 3.68856803937089
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.98549635687515
+variable        y0 equal ${yi}
+variable        y0 equal 2.82734158011773
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 7.03481884279892
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.76515156003335
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2732   -2.9871562   -2.7321349   -2.7023229 
+    2733   -2.9871562   -2.7321349   -2.7110341 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 34 x ${x0}
+set atom 34 x 6.98549635687515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 34 y ${y0}
+set atom 34 y 2.82734158011773
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.42402232089902
+variable        y0 equal ${yi}
+variable        y0 equal 3.68856803937089
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.37485285201932
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.61131827397477
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2733   -2.9871562   -2.7321349   -2.7110341 
+    2734   -2.9871562   -2.7321349   -2.7058739 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 51 x ${x0}
+set atom 51 x 5.42402232089902
+  1 settings made for x
+set atom $i y ${y0}
+set atom 51 y ${y0}
+set atom 51 y 3.68856803937089
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.542552276054287
+variable        y0 equal ${yi}
+variable        y0 equal 2.78936891528467
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.577830381790066
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.73754199715952
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2734   -2.9871562   -2.7321349   -2.7058739 
+    2735   -2.9871562   -2.7321349   -2.7223507 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.542552276054287
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.78936891528467
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 93
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.44710795401651
+variable        y0 equal ${yi}
+variable        y0 equal 7.41837643709443
+
+set             atom $i x ${xnew}
+set             atom 93 x ${xnew}
+set             atom 93 x 6.47687185525018
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 93 y ${ynew}
+set             atom 93 y 7.43093628015778
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2735   -2.9871562   -2.7321349   -2.7223507 
+    2736   -2.9871562   -2.7321349    -2.729343 
+Loop time of 7.51019e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 93 x ${x0}
+set atom 93 x 6.44710795401651
+  1 settings made for x
+set atom $i y ${y0}
+set atom 93 y ${y0}
+set atom 93 y 7.41837643709443
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80285523453837
+variable        y0 equal ${yi}
+variable        y0 equal 8.35734108604488
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.87444459715968
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.41334544338283
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2736   -2.9871562   -2.7321349    -2.729343 
+    2737   -2.9871562   -2.7321349   -2.6950404 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.80285523453837
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.35734108604488
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 22
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.542552276054287
+variable        y0 equal ${yi}
+variable        y0 equal 2.78936891528467
+
+set             atom $i x ${xnew}
+set             atom 22 x ${xnew}
+set             atom 22 x 0.443231339851284
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 22 y ${ynew}
+set             atom 22 y 2.76042376729349
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2737   -2.9871562   -2.7321349   -2.6950404 
+    2738   -2.9871562   -2.7321349   -2.7215503 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 22 x ${x0}
+set atom 22 x 0.542552276054287
+  1 settings made for x
+set atom $i y ${y0}
+set atom 22 y ${y0}
+set atom 22 y 2.78936891528467
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.6009168970563
+variable        y0 equal ${yi}
+variable        y0 equal 0.937610264528124
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.63998800396701
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 0.856236310708849
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2738   -2.9871562   -2.7321349   -2.7215503 
+    2739   -2.9871562   -2.7321349   -2.7228884 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 4 x ${x0}
+set atom 4 x 1.6009168970563
+  1 settings made for x
+set atom $i y ${y0}
+set atom 4 y ${y0}
+set atom 4 y 0.937610264528124
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.95025718807079
+variable        y0 equal ${yi}
+variable        y0 equal 0.949378951299518
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 7.85574802755214
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 0.95840745757851
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2739   -2.9871562   -2.7321349   -2.7228884 
+    2740   -2.9871562   -2.7321349   -2.7097472 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 16 x ${x0}
+set atom 16 x 7.95025718807079
+  1 settings made for x
+set atom $i y ${y0}
+set atom 16 y ${y0}
+set atom 16 y 0.949378951299518
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 45
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.19388546387063
+variable        y0 equal ${yi}
+variable        y0 equal 3.77270575328004
+
+set             atom $i x ${xnew}
+set             atom 45 x ${xnew}
+set             atom 45 x 2.11327207723962
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 45 y ${ynew}
+set             atom 45 y 3.69046806855332
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2740   -2.9871562   -2.7321349   -2.7097472 
+    2741   -2.9871562   -2.7321349   -2.7188533 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 45 x ${x0}
+set atom 45 x 2.19388546387063
+  1 settings made for x
+set atom $i y ${y0}
+set atom 45 y ${y0}
+set atom 45 y 3.77270575328004
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 66
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.75945490796997
+variable        y0 equal ${yi}
+variable        y0 equal 6.47566335932247
+
+set             atom $i x ${xnew}
+set             atom 66 x ${xnew}
+set             atom 66 x 2.81530283887817
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 66 y ${ynew}
+set             atom 66 y 6.45558708445064
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2741   -2.9871562   -2.7321349   -2.7188533 
+    2742   -2.9871562   -2.7321349   -2.7214515 
+Loop time of 0.0439138 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 66 x ${x0}
+set atom 66 x 2.75945490796997
+  1 settings made for x
+set atom $i y ${y0}
+set atom 66 y ${y0}
+set atom 66 y 6.47566335932247
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.16288858372719
+variable        y0 equal ${yi}
+variable        y0 equal 4.74496568793221
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 9.17122378069908
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.84288561695977
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2742   -2.9871562   -2.7321349   -2.7214515 
+    2743   -2.9871562   -2.7321349   -2.6912761 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 58 x ${x0}
+set atom 58 x 9.16288858372719
+  1 settings made for x
+set atom $i y ${y0}
+set atom 58 y ${y0}
+set atom 58 y 4.74496568793221
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.7493215699954
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.6366345559971
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2743   -2.9871562   -2.7321349   -2.6912761 
+    2744   -2.9871562   -2.7321349   -2.7303725 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 42
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.500509889522458
+variable        y0 equal ${yi}
+variable        y0 equal 4.59161240214273
+
+set             atom $i x ${xnew}
+set             atom 42 x ${xnew}
+set             atom 42 x 0.459410722652341
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 42 y ${ynew}
+set             atom 42 y 4.52350529784128
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2744   -2.9871562   -2.7321349   -2.7303725 
+    2745   -2.9871562   -2.7321349   -2.7152595 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 42 x ${x0}
+set atom 42 x 0.500509889522458
+  1 settings made for x
+set atom $i y ${y0}
+set atom 42 y ${y0}
+set atom 42 y 4.59161240214273
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 42
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.500509889522458
+variable        y0 equal ${yi}
+variable        y0 equal 4.59161240214273
+
+set             atom $i x ${xnew}
+set             atom 42 x ${xnew}
+set             atom 42 x 0.45259110490408
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 42 y ${ynew}
+set             atom 42 y 4.52032299393579
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2745   -2.9871562   -2.7321349   -2.7152595 
+    2746   -2.9871562   -2.7321349   -2.7121915 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 42 x ${x0}
+set atom 42 x 0.500509889522458
+  1 settings made for x
+set atom $i y ${y0}
+set atom 42 y ${y0}
+set atom 42 y 4.59161240214273
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 43
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.11356125195676
+variable        y0 equal ${yi}
+variable        y0 equal 3.71681254668367
+
+set             atom $i x ${xnew}
+set             atom 43 x ${xnew}
+set             atom 43 x 1.08615428527051
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 43 y ${ynew}
+set             atom 43 y 3.78796881003511
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2746   -2.9871562   -2.7321349   -2.7121915 
+    2747   -2.9871562   -2.7321349    -2.720316 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 43 x ${x0}
+set atom 43 x 1.11356125195676
+  1 settings made for x
+set atom $i y ${y0}
+set atom 43 y ${y0}
+set atom 43 y 3.71681254668367
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 39
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.58521930454847
+variable        y0 equal ${yi}
+variable        y0 equal 1.81828533790177
+
+set             atom $i x ${xnew}
+set             atom 39 x ${xnew}
+set             atom 39 x 9.56105897902128
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 39 y ${ynew}
+set             atom 39 y 1.76586105010575
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2747   -2.9871562   -2.7321349    -2.720316 
+    2748   -2.9871562   -2.7321349   -2.7237267 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 39 x ${x0}
+set atom 39 x 9.58521930454847
+  1 settings made for x
+set atom $i y ${y0}
+set atom 39 y ${y0}
+set atom 39 y 1.81828533790177
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.81670362273342
+variable        y0 equal ${yi}
+variable        y0 equal 2.85977786752084
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.88242468157894
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.77902625771859
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2748   -2.9871562   -2.7321349   -2.7237267 
+    2749   -2.9871562   -2.7321349   -2.6799123 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.81670362273342
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.85977786752084
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.36143123308087
+variable        y0 equal ${yi}
+variable        y0 equal 7.41034705963397
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.29436823526288
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.37409855451846
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2749   -2.9871562   -2.7321349   -2.6799123 
+    2750   -2.9871562   -2.7321349   -2.7095958 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 91 x ${x0}
+set atom 91 x 5.36143123308087
+  1 settings made for x
+set atom $i y ${y0}
+set atom 91 y ${y0}
+set atom 91 y 7.41034705963397
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 3
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.02897904236965
+variable        y0 equal ${yi}
+variable        y0 equal 9.27259716499179
+
+set             atom $i x ${xnew}
+set             atom 3 x ${xnew}
+set             atom 3 x 1.01596815903835
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 3 y ${ynew}
+set             atom 3 y 9.18600182044833
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2750   -2.9871562   -2.7321349   -2.7095958 
+    2751   -2.9871562   -2.7321349   -2.7093307 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 3 x ${x0}
+set atom 3 x 1.02897904236965
+  1 settings made for x
+set atom $i y ${y0}
+set atom 3 y ${y0}
+set atom 3 y 9.27259716499179
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 41
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.7038741310291
+variable        y0 equal ${yi}
+variable        y0 equal 3.65389419360293
+
+set             atom $i x ${xnew}
+set             atom 41 x ${xnew}
+set             atom 41 x 10.771525271719
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 41 y ${ynew}
+set             atom 41 y 3.55796886248721
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2751   -2.9871562   -2.7321349   -2.7093307 
+    2752   -2.9871562   -2.7321349   -2.6864252 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 41 x ${x0}
+set atom 41 x 10.7038741310291
+  1 settings made for x
+set atom $i y ${y0}
+set atom 41 y ${y0}
+set atom 41 y 3.65389419360293
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.13902074734077
+variable        y0 equal ${yi}
+variable        y0 equal 9.29444277990191
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 2.18613221088752
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y 9.25905466783373
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2752   -2.9871562   -2.7321349   -2.6864252 
+    2753   -2.9871562   -2.7321349   -2.7251104 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 5 x ${x0}
+set atom 5 x 2.13902074734077
+  1 settings made for x
+set atom $i y ${y0}
+set atom 5 y ${y0}
+set atom 5 y 9.29444277990191
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 95
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.50331240732442
+variable        y0 equal ${yi}
+variable        y0 equal 7.44483136263156
+
+set             atom $i x ${xnew}
+set             atom 95 x ${xnew}
+set             atom 95 x 7.48109969932805
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 95 y ${ynew}
+set             atom 95 y 7.51832063522601
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2753   -2.9871562   -2.7321349   -2.7251104 
+    2754   -2.9871562   -2.7321349   -2.7101397 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 95 x ${x0}
+set atom 95 x 7.50331240732442
+  1 settings made for x
+set atom $i y ${y0}
+set atom 95 y ${y0}
+set atom 95 y 7.44483136263156
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 50
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.92057361244498
+variable        y0 equal ${yi}
+variable        y0 equal 4.60940848940775
+
+set             atom $i x ${xnew}
+set             atom 50 x ${xnew}
+set             atom 50 x 4.95264606117545
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 50 y ${ynew}
+set             atom 50 y 4.63440165871546
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2754   -2.9871562   -2.7321349   -2.7101397 
+    2755   -2.9871562   -2.7321349   -2.7255686 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 50 x ${x0}
+set atom 50 x 4.92057361244498
+  1 settings made for x
+set atom $i y ${y0}
+set atom 50 y ${y0}
+set atom 50 y 4.60940848940775
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 67
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.29802477120916
+variable        y0 equal ${yi}
+variable        y0 equal 5.57190024798112
+
+set             atom $i x ${xnew}
+set             atom 67 x ${xnew}
+set             atom 67 x 3.374034247394
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 67 y ${ynew}
+set             atom 67 y 5.63926829045015
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2755   -2.9871562   -2.7321349   -2.7255686 
+    2756   -2.9871562   -2.7321349   -2.7051592 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 67 x ${x0}
+set atom 67 x 3.29802477120916
+  1 settings made for x
+set atom $i y ${y0}
+set atom 67 y ${y0}
+set atom 67 y 5.57190024798112
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 74
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.04742242375061
+variable        y0 equal ${yi}
+variable        y0 equal 6.46128811375131
+
+set             atom $i x ${xnew}
+set             atom 74 x ${xnew}
+set             atom 74 x 7.07604214230225
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 74 y ${ynew}
+set             atom 74 y 6.55222554937829
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2756   -2.9871562   -2.7321349   -2.7051592 
+    2757   -2.9871562   -2.7321349   -2.7231798 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 74 x ${x0}
+set atom 74 x 7.04742242375061
+  1 settings made for x
+set atom $i y ${y0}
+set atom 74 y ${y0}
+set atom 74 y 6.46128811375131
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.21282525459196
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y 0.0962274551391577
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2757   -2.9871562   -2.7321349   -2.7231798 
+    2758   -2.9871562   -2.7321349   -2.6657771 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.00678724327727
+variable        y0 equal ${yi}
+variable        y0 equal 4.66030267828866
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 6.99091418066664
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.74590075367852
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2758   -2.9871562   -2.7321349   -2.6657771 
+    2759   -2.9871562   -2.7321349   -2.7040363 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.00678724327727
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.66030267828866
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.16288858372719
+variable        y0 equal ${yi}
+variable        y0 equal 4.74496568793221
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 9.17698586899788
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.70937407368584
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2759   -2.9871562   -2.7321349   -2.7040363 
+    2760   -2.9871562   -2.7321349    -2.734665 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.73466503851486
+variable naccept equal ${increment}
+variable naccept equal 470
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.94641846377841
+variable        y0 equal ${yi}
+variable        y0 equal 4.67712874764368
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 5.97087367732516
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.72044085616037
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2760   -2.9871562    -2.734665    -2.734665 
+    2761   -2.9871562    -2.734665   -2.7247555 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 52 x ${x0}
+set atom 52 x 5.94641846377841
+  1 settings made for x
+set atom $i y ${y0}
+set atom 52 y ${y0}
+set atom 52 y 4.67712874764368
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.16921079794274
+variable        y0 equal ${yi}
+variable        y0 equal 1.86157575032777
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.10532751718865
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.95700883052415
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2761   -2.9871562    -2.734665   -2.7247555 
+    2762   -2.9871562    -2.734665    -2.709741 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.16921079794274
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.86157575032777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.35047749677564
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y -0.0799123287200953
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2762   -2.9871562    -2.734665    -2.709741 
+    2763   -2.9871562    -2.734665   -2.7209108 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.87285548408023
+variable        y0 equal ${yi}
+variable        y0 equal 8.36937119878825
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.89995702464572
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.43862652696666
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2763   -2.9871562    -2.734665   -2.7209108 
+    2764   -2.9871562    -2.734665   -2.7259148 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 92 x ${x0}
+set atom 92 x 5.87285548408023
+  1 settings made for x
+set atom $i y ${y0}
+set atom 92 y ${y0}
+set atom 92 y 8.36937119878825
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 98
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.09545654971154
+variable        y0 equal ${yi}
+variable        y0 equal 8.37382508434351
+
+set             atom $i x ${xnew}
+set             atom 98 x ${xnew}
+set             atom 98 x 9.13518403489144
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 98 y ${ynew}
+set             atom 98 y 8.45328273691233
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2764   -2.9871562    -2.734665   -2.7259148 
+    2765   -2.9871562    -2.734665   -2.7277226 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 98 x ${x0}
+set atom 98 x 9.09545654971154
+  1 settings made for x
+set atom $i y ${y0}
+set atom 98 y ${y0}
+set atom 98 y 8.37382508434351
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 23
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.07343188841992
+variable        y0 equal ${yi}
+variable        y0 equal 1.85961672446793
+
+set             atom $i x ${xnew}
+set             atom 23 x ${xnew}
+set             atom 23 x 1.12478874047452
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 23 y ${ynew}
+set             atom 23 y 1.87055945775574
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2765   -2.9871562    -2.734665   -2.7277226 
+    2766   -2.9871562    -2.734665   -2.7284708 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 23 x ${x0}
+set atom 23 x 1.07343188841992
+  1 settings made for x
+set atom $i y ${y0}
+set atom 23 y ${y0}
+set atom 23 y 1.85961672446793
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 37
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.51648090043489
+variable        y0 equal ${yi}
+variable        y0 equal 1.84042694947785
+
+set             atom $i x ${xnew}
+set             atom 37 x ${xnew}
+set             atom 37 x 8.59072899976198
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 37 y ${ynew}
+set             atom 37 y 1.91424188993043
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2766   -2.9871562    -2.734665   -2.7284708 
+    2767   -2.9871562    -2.734665   -2.7112079 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 37 x ${x0}
+set atom 37 x 8.51648090043489
+  1 settings made for x
+set atom $i y ${y0}
+set atom 37 y ${y0}
+set atom 37 y 1.84042694947785
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 81
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0322040319442937
+variable        y0 equal ${yi}
+variable        y0 equal 7.38692112293505
+
+set             atom $i x ${xnew}
+set             atom 81 x ${xnew}
+set             atom 81 x -0.0163023829459956
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 81 y ${ynew}
+set             atom 81 y 7.3930678876903
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2767   -2.9871562    -2.734665   -2.7112079 
+    2768   -2.9871562    -2.734665   -2.7281615 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 81 x ${x0}
+set atom 81 x 0.0322040319442937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 81 y ${y0}
+set atom 81 y 7.38692112293505
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.00678724327727
+variable        y0 equal ${yi}
+variable        y0 equal 4.66030267828866
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 6.97108395376845
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.6145910894291
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2768   -2.9871562    -2.734665   -2.7281615 
+    2769   -2.9871562    -2.734665   -2.7226607 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.00678724327727
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.66030267828866
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 10
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.77766234516441
+variable        y0 equal ${yi}
+variable        y0 equal 0.927607925641864
+
+set             atom $i x ${xnew}
+set             atom 10 x ${xnew}
+set             atom 10 x 4.72051680921852
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 10 y ${ynew}
+set             atom 10 y 0.934614523160785
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2769   -2.9871562    -2.734665   -2.7226607 
+    2770   -2.9871562    -2.734665   -2.7280453 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 10 x ${x0}
+set atom 10 x 4.77766234516441
+  1 settings made for x
+set atom $i y ${y0}
+set atom 10 y ${y0}
+set atom 10 y 0.927607925641864
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.57288145302412
+variable        y0 equal ${yi}
+variable        y0 equal 3.68945432467593
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.48055874584791
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.76122532649173
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2770   -2.9871562    -2.734665   -2.7280453 
+    2771   -2.9871562    -2.734665   -2.6881413 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 59 x ${x0}
+set atom 59 x 9.57288145302412
+  1 settings made for x
+set atom $i y ${y0}
+set atom 59 y ${y0}
+set atom 59 y 3.68945432467593
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80285523453837
+variable        y0 equal ${yi}
+variable        y0 equal 8.35734108604488
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.78350791255122
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.3979895225912
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2771   -2.9871562    -2.734665   -2.6881413 
+    2772   -2.9871562    -2.734665    -2.734709 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.73470898611002
+variable naccept equal ${increment}
+variable naccept equal 471
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 95
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.50331240732442
+variable        y0 equal ${yi}
+variable        y0 equal 7.44483136263156
+
+set             atom $i x ${xnew}
+set             atom 95 x ${xnew}
+set             atom 95 x 7.43254564840566
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 95 y ${ynew}
+set             atom 95 y 7.37556475725436
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2772   -2.9871562    -2.734709    -2.734709 
+    2773   -2.9871562    -2.734709   -2.7132431 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 95 x ${x0}
+set atom 95 x 7.50331240732442
+  1 settings made for x
+set atom $i y ${y0}
+set atom 95 y ${y0}
+set atom 95 y 7.44483136263156
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 17
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.56200896659319
+variable        y0 equal ${yi}
+variable        y0 equal 9.2929022978577
+
+set             atom $i x ${xnew}
+set             atom 17 x ${xnew}
+set             atom 17 x 8.60162935414736
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 17 y ${ynew}
+set             atom 17 y 9.37977176416248
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2773   -2.9871562    -2.734709   -2.7132431 
+    2774   -2.9871562    -2.734709   -2.6913076 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 17 x ${x0}
+set atom 17 x 8.56200896659319
+  1 settings made for x
+set atom $i y ${y0}
+set atom 17 y ${y0}
+set atom 17 y 9.2929022978577
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 68
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.8275111011613
+variable        y0 equal ${yi}
+variable        y0 equal 6.48541394011011
+
+set             atom $i x ${xnew}
+set             atom 68 x ${xnew}
+set             atom 68 x 3.84755992213374
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 68 y ${ynew}
+set             atom 68 y 6.55888664261331
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2774   -2.9871562    -2.734709   -2.6913076 
+    2775   -2.9871562    -2.734709   -2.7125244 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 68 x ${x0}
+set atom 68 x 3.8275111011613
+  1 settings made for x
+set atom $i y ${y0}
+set atom 68 y ${y0}
+set atom 68 y 6.48541394011011
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.64033596713972
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.58126306885644
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2775   -2.9871562    -2.734709   -2.7125244 
+    2776   -2.9871562    -2.734709   -2.6896157 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.525174053111937
+variable        y0 equal ${yi}
+variable        y0 equal 0.894475575197066
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.445164008537199
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.840904362905348
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2776   -2.9871562    -2.734709   -2.6896157 
+    2777   -2.9871562    -2.734709   -2.7271166 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.525174053111937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 0.894475575197066
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 100
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.131702781107
+variable        y0 equal ${yi}
+variable        y0 equal 8.31063791431484
+
+set             atom $i x ${xnew}
+set             atom 100 x ${xnew}
+set             atom 100 x 10.1918648365994
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 100 y ${ynew}
+set             atom 100 y 8.31194528259334
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2777   -2.9871562    -2.734709   -2.7271166 
+    2778   -2.9871562    -2.734709   -2.7352559 
+Loop time of 4.98295e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.73525591168888
+variable naccept equal ${increment}
+variable naccept equal 472
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.68984863638659
+variable        y0 equal ${yi}
+variable        y0 equal 6.46641751066677
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.63268258452197
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.49439754024975
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2778   -2.9871562   -2.7352559   -2.7352559 
+    2779   -2.9871562   -2.7352559   -2.7256954 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.68984863638659
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.46641751066677
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 19
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.57771970509168
+variable        y0 equal ${yi}
+variable        y0 equal 0.0528771042823788
+
+set             atom $i x ${xnew}
+set             atom 19 x ${xnew}
+set             atom 19 x 9.67506087301847
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 19 y ${ynew}
+set             atom 19 y 0.0304924249649044
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2779   -2.9871562   -2.7352559   -2.7256954 
+    2780   -2.9871562   -2.7352559      -2.6915 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 19 x ${x0}
+set atom 19 x 9.57771970509168
+  1 settings made for x
+set atom $i y ${y0}
+set atom 19 y ${y0}
+set atom 19 y 0.0528771042823788
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 82
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.480583484569456
+variable        y0 equal ${yi}
+variable        y0 equal 8.38369611419733
+
+set             atom $i x ${xnew}
+set             atom 82 x ${xnew}
+set             atom 82 x 0.417970784107115
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 82 y ${ynew}
+set             atom 82 y 8.35561866678293
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2780   -2.9871562   -2.7352559      -2.6915 
+    2781   -2.9871562   -2.7352559   -2.7190266 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 82 x ${x0}
+set atom 82 x 0.480583484569456
+  1 settings made for x
+set atom $i y ${y0}
+set atom 82 y ${y0}
+set atom 82 y 8.38369611419733
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.0514173328767
+variable        y0 equal ${yi}
+variable        y0 equal 8.32951669611032
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 7.9758500873933
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.24532965339715
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2781   -2.9871562   -2.7352559   -2.7190266 
+    2782   -2.9871562   -2.7352559   -2.6840774 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.0514173328767
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.32951669611032
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 38
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.09958864171057
+variable        y0 equal ${yi}
+variable        y0 equal 2.75573046180108
+
+set             atom $i x ${xnew}
+set             atom 38 x ${xnew}
+set             atom 38 x 9.1820952983573
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 38 y ${ynew}
+set             atom 38 y 2.73509116145471
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2782   -2.9871562   -2.7352559   -2.6840774 
+    2783   -2.9871562   -2.7352559   -2.7007479 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 38 x ${x0}
+set atom 38 x 9.09958864171057
+  1 settings made for x
+set atom $i y ${y0}
+set atom 38 y ${y0}
+set atom 38 y 2.75573046180108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.89040735601722
+variable        y0 equal ${yi}
+variable        y0 equal 6.45623155371179
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.85513271927177
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.43979434505929
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2783   -2.9871562   -2.7352559   -2.7007479 
+    2784   -2.9871562   -2.7352559   -2.7315745 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 4.89040735601722
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.45623155371179
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 43
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.11356125195676
+variable        y0 equal ${yi}
+variable        y0 equal 3.71681254668367
+
+set             atom $i x ${xnew}
+set             atom 43 x ${xnew}
+set             atom 43 x 1.10899938662702
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 43 y ${ynew}
+set             atom 43 y 3.63085544867647
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2784   -2.9871562   -2.7352559   -2.7315745 
+    2785   -2.9871562   -2.7352559   -2.7190767 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 43 x ${x0}
+set atom 43 x 1.11356125195676
+  1 settings made for x
+set atom $i y ${y0}
+set atom 43 y ${y0}
+set atom 43 y 3.71681254668367
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 7
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.22492432355444
+variable        y0 equal ${yi}
+variable        y0 equal 0.0240613460540867
+
+set             atom $i x ${xnew}
+set             atom 7 x ${xnew}
+set             atom 7 x 3.13557020186941
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 7 y ${ynew}
+set             atom 7 y -0.0658627152442837
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2785   -2.9871562   -2.7352559   -2.7190767 
+    2786   -2.9871562   -2.7352559   -2.7059464 
+Loop time of 9.08375e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 7 x ${x0}
+set atom 7 x 3.22492432355444
+  1 settings made for x
+set atom $i y ${y0}
+set atom 7 y ${y0}
+set atom 7 y 0.0240613460540867
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.98599239308387
+variable        y0 equal ${yi}
+variable        y0 equal 0.925951715219346
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 8.94732632357627
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 1.02147035192284
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2786   -2.9871562   -2.7352559   -2.7059464 
+    2787   -2.9871562   -2.7352559      -2.6866 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 18 x ${x0}
+set atom 18 x 8.98599239308387
+  1 settings made for x
+set atom $i y ${y0}
+set atom 18 y ${y0}
+set atom 18 y 0.925951715219346
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 41
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.7038741310291
+variable        y0 equal ${yi}
+variable        y0 equal 3.65389419360293
+
+set             atom $i x ${xnew}
+set             atom 41 x ${xnew}
+set             atom 41 x 10.7377961357288
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 41 y ${ynew}
+set             atom 41 y 3.60898553891314
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2787   -2.9871562   -2.7352559      -2.6866 
+    2788   -2.9871562   -2.7352559   -2.7263513 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 41 x ${x0}
+set atom 41 x 10.7038741310291
+  1 settings made for x
+set atom $i y ${y0}
+set atom 41 y ${y0}
+set atom 41 y 3.65389419360293
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.81670362273342
+variable        y0 equal ${yi}
+variable        y0 equal 2.85977786752084
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.84426377335674
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.92727882834771
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2788   -2.9871562   -2.7352559   -2.7263513 
+    2789   -2.9871562   -2.7352559   -2.7137032 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.81670362273342
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.85977786752084
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 94
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.99553199091598
+variable        y0 equal ${yi}
+variable        y0 equal 8.37164120592174
+
+set             atom $i x ${xnew}
+set             atom 94 x ${xnew}
+set             atom 94 x 6.97079646864578
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 94 y ${ynew}
+set             atom 94 y 8.44335532106456
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2789   -2.9871562   -2.7352559   -2.7137032 
+    2790   -2.9871562   -2.7352559   -2.7301471 
+Loop time of 4.41074e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 94 x ${x0}
+set atom 94 x 6.99553199091598
+  1 settings made for x
+set atom $i y ${y0}
+set atom 94 y ${y0}
+set atom 94 y 8.37164120592174
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 93
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.44710795401651
+variable        y0 equal ${yi}
+variable        y0 equal 7.41837643709443
+
+set             atom $i x ${xnew}
+set             atom 93 x ${xnew}
+set             atom 93 x 6.4341935706051
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 93 y ${ynew}
+set             atom 93 y 7.32606439914964
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2790   -2.9871562   -2.7352559   -2.7301471 
+    2791   -2.9871562   -2.7352559   -2.7222898 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 93 x ${x0}
+set atom 93 x 6.44710795401651
+  1 settings made for x
+set atom $i y ${y0}
+set atom 93 y ${y0}
+set atom 93 y 7.41837643709443
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 42
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.500509889522458
+variable        y0 equal ${yi}
+variable        y0 equal 4.59161240214273
+
+set             atom $i x ${xnew}
+set             atom 42 x ${xnew}
+set             atom 42 x 0.452163763442899
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 42 y ${ynew}
+set             atom 42 y 4.61642146462366
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2791   -2.9871562   -2.7352559   -2.7222898 
+    2792   -2.9871562   -2.7352559   -2.7235199 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 42 x ${x0}
+set atom 42 x 0.500509889522458
+  1 settings made for x
+set atom $i y ${y0}
+set atom 42 y ${y0}
+set atom 42 y 4.59161240214273
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 100
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1918648365994
+variable        y0 equal ${yi}
+variable        y0 equal 8.31194528259334
+
+set             atom $i x ${xnew}
+set             atom 100 x ${xnew}
+set             atom 100 x 10.0957713607808
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 100 y ${ynew}
+set             atom 100 y 8.40702996172008
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2792   -2.9871562   -2.7352559   -2.7235199 
+    2793   -2.9871562   -2.7352559   -2.7248013 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 100 x ${x0}
+set atom 100 x 10.1918648365994
+  1 settings made for x
+set atom $i y ${y0}
+set atom 100 y ${y0}
+set atom 100 y 8.31194528259334
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 97
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.67711982884829
+variable        y0 equal ${yi}
+variable        y0 equal 7.46412369337345
+
+set             atom $i x ${xnew}
+set             atom 97 x ${xnew}
+set             atom 97 x 8.76452070632403
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 97 y ${ynew}
+set             atom 97 y 7.49433875408436
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2793   -2.9871562   -2.7352559   -2.7248013 
+    2794   -2.9871562   -2.7352559   -2.6826574 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 97 x ${x0}
+set atom 97 x 8.67711982884829
+  1 settings made for x
+set atom $i y ${y0}
+set atom 97 y ${y0}
+set atom 97 y 7.46412369337345
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.12605889161282
+variable        y0 equal ${yi}
+variable        y0 equal 7.46482060280108
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.2093950303381
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.51538009968066
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2794   -2.9871562   -2.7352559   -2.6826574 
+    2795   -2.9871562   -2.7352559   -2.6971251 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.12605889161282
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.46482060280108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 63
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.09178573210888
+variable        y0 equal ${yi}
+variable        y0 equal 5.57776011173921
+
+set             atom $i x ${xnew}
+set             atom 63 x ${xnew}
+set             atom 63 x 1.16035510619335
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 63 y ${ynew}
+set             atom 63 y 5.48757321779924
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2795   -2.9871562   -2.7352559   -2.6971251 
+    2796   -2.9871562   -2.7352559   -2.6888584 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 63 x ${x0}
+set atom 63 x 1.09178573210888
+  1 settings made for x
+set atom $i y ${y0}
+set atom 63 y ${y0}
+set atom 63 y 5.57776011173921
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 94
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.99553199091598
+variable        y0 equal ${yi}
+variable        y0 equal 8.37164120592174
+
+set             atom $i x ${xnew}
+set             atom 94 x ${xnew}
+set             atom 94 x 7.02288831749603
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 94 y ${ynew}
+set             atom 94 y 8.46585688509044
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2796   -2.9871562   -2.7352559   -2.6888584 
+    2797   -2.9871562   -2.7352559   -2.7160964 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 94 x ${x0}
+set atom 94 x 6.99553199091598
+  1 settings made for x
+set atom $i y ${y0}
+set atom 94 y ${y0}
+set atom 94 y 8.37164120592174
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 60
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.2036228899023
+variable        y0 equal ${yi}
+variable        y0 equal 4.57710585946008
+
+set             atom $i x ${xnew}
+set             atom 60 x ${xnew}
+set             atom 60 x 10.1955955747625
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 60 y ${ynew}
+set             atom 60 y 4.53326931351587
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2797   -2.9871562   -2.7352559   -2.7160964 
+    2798   -2.9871562   -2.7352559   -2.7296192 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 60 x ${x0}
+set atom 60 x 10.2036228899023
+  1 settings made for x
+set atom $i y ${y0}
+set atom 60 y ${y0}
+set atom 60 y 4.57710585946008
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.18122052589761
+variable        y0 equal ${yi}
+variable        y0 equal 7.43532284822726
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.21853154341089
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.44536910381579
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2798   -2.9871562   -2.7352559   -2.7296192 
+    2799   -2.9871562   -2.7352559   -2.7338905 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.18122052589761
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.43532284822726
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.0514173328767
+variable        y0 equal ${yi}
+variable        y0 equal 8.32951669611032
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.12170733808376
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.29614760793741
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2799   -2.9871562   -2.7352559   -2.7338905 
+    2800   -2.9871562   -2.7352559   -2.7146945 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.0514173328767
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.32951669611032
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.4515117414734
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.62000966017444
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2800   -2.9871562   -2.7352559   -2.7146945 
+    2801   -2.9871562   -2.7352559    -2.689026 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.12605889161282
+variable        y0 equal ${yi}
+variable        y0 equal 7.46482060280108
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.05902936776333
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.53529954281115
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2801   -2.9871562   -2.7352559    -2.689026 
+    2802   -2.9871562   -2.7352559   -2.7244811 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.12605889161282
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.46482060280108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.94641846377841
+variable        y0 equal ${yi}
+variable        y0 equal 4.67712874764368
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 6.03995888192645
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.75960318201944
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2802   -2.9871562   -2.7352559   -2.7244811 
+    2803   -2.9871562   -2.7352559   -2.6823193 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 52 x ${x0}
+set atom 52 x 5.94641846377841
+  1 settings made for x
+set atom $i y ${y0}
+set atom 52 y ${y0}
+set atom 52 y 4.67712874764368
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 8
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.72890197554714
+variable        y0 equal ${yi}
+variable        y0 equal 1.0604893166903
+
+set             atom $i x ${xnew}
+set             atom 8 x ${xnew}
+set             atom 8 x 3.73698945561535
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 8 y ${ynew}
+set             atom 8 y 1.07722431014809
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2803   -2.9871562   -2.7352559   -2.6823193 
+    2804   -2.9871562   -2.7352559   -2.7313159 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 8 x ${x0}
+set atom 8 x 3.72890197554714
+  1 settings made for x
+set atom $i y ${y0}
+set atom 8 y ${y0}
+set atom 8 y 1.0604893166903
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 97
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.67711982884829
+variable        y0 equal ${yi}
+variable        y0 equal 7.46412369337345
+
+set             atom $i x ${xnew}
+set             atom 97 x ${xnew}
+set             atom 97 x 8.71516447225039
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 97 y ${ynew}
+set             atom 97 y 7.52710440483356
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2804   -2.9871562   -2.7352559   -2.7313159 
+    2805   -2.9871562   -2.7352559   -2.6938042 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 97 x ${x0}
+set atom 97 x 8.67711982884829
+  1 settings made for x
+set atom $i y ${y0}
+set atom 97 y ${y0}
+set atom 97 y 7.46412369337345
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 50
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.92057361244498
+variable        y0 equal ${yi}
+variable        y0 equal 4.60940848940775
+
+set             atom $i x ${xnew}
+set             atom 50 x ${xnew}
+set             atom 50 x 5.01971554397879
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 50 y ${ynew}
+set             atom 50 y 4.65980476492807
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2805   -2.9871562   -2.7352559   -2.6938042 
+    2806   -2.9871562   -2.7352559   -2.6812868 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 50 x ${x0}
+set atom 50 x 4.92057361244498
+  1 settings made for x
+set atom $i y ${y0}
+set atom 50 y ${y0}
+set atom 50 y 4.60940848940775
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 86
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.71264111001922
+variable        y0 equal ${yi}
+variable        y0 equal 8.37165092147884
+
+set             atom $i x ${xnew}
+set             atom 86 x ${xnew}
+set             atom 86 x 2.81154446800186
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 86 y ${ynew}
+set             atom 86 y 8.29976930536327
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2806   -2.9871562   -2.7352559   -2.6812868 
+    2807   -2.9871562   -2.7352559   -2.7039371 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 86 x ${x0}
+set atom 86 x 2.71264111001922
+  1 settings made for x
+set atom $i y ${y0}
+set atom 86 y ${y0}
+set atom 86 y 8.37165092147884
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.17698586899788
+variable        y0 equal ${yi}
+variable        y0 equal 4.70937407368584
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 9.08188451249153
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.65171871537133
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2807   -2.9871562   -2.7352559   -2.7039371 
+    2808   -2.9871562   -2.7352559   -2.7247428 
+Loop time of 8.29697e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 58 x ${x0}
+set atom 58 x 9.17698586899788
+  1 settings made for x
+set atom $i y ${y0}
+set atom 58 y ${y0}
+set atom 58 y 4.70937407368584
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1299801353476
+variable        y0 equal ${yi}
+variable        y0 equal 2.75316406461099
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.1996854070685
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.67875312539438
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2808   -2.9871562   -2.7352559   -2.7247428 
+    2809   -2.9871562   -2.7352559   -2.7250791 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.1299801353476
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.75316406461099
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.54984512486879
+variable        y0 equal ${yi}
+variable        y0 equal 3.69442252679001
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.48512354054872
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.6499803261293
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2809   -2.9871562   -2.7352559   -2.7250791 
+    2810   -2.9871562   -2.7352559   -2.7140352 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 57 x ${x0}
+set atom 57 x 8.54984512486879
+  1 settings made for x
+set atom $i y ${y0}
+set atom 57 y ${y0}
+set atom 57 y 3.69442252679001
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 41
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.7038741310291
+variable        y0 equal ${yi}
+variable        y0 equal 3.65389419360293
+
+set             atom $i x ${xnew}
+set             atom 41 x ${xnew}
+set             atom 41 x 10.6870362599544
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 41 y ${ynew}
+set             atom 41 y 3.66455660624636
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2810   -2.9871562   -2.7352559   -2.7140352 
+    2811   -2.9871562   -2.7352559   -2.7346401 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 41 x ${x0}
+set atom 41 x 10.7038741310291
+  1 settings made for x
+set atom $i y ${y0}
+set atom 41 y ${y0}
+set atom 41 y 3.65389419360293
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.42402232089902
+variable        y0 equal ${yi}
+variable        y0 equal 3.68856803937089
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.50663917461301
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.6222579674257
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2811   -2.9871562   -2.7352559   -2.7346401 
+    2812   -2.9871562   -2.7352559   -2.6799913 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 51 x ${x0}
+set atom 51 x 5.42402232089902
+  1 settings made for x
+set atom $i y ${y0}
+set atom 51 y ${y0}
+set atom 51 y 3.68856803937089
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 94
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.99553199091598
+variable        y0 equal ${yi}
+variable        y0 equal 8.37164120592174
+
+set             atom $i x ${xnew}
+set             atom 94 x ${xnew}
+set             atom 94 x 7.0386260298793
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 94 y ${ynew}
+set             atom 94 y 8.4339986554533
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2812   -2.9871562   -2.7352559   -2.6799913 
+    2813   -2.9871562   -2.7352559   -2.7215537 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 94 x ${x0}
+set atom 94 x 6.99553199091598
+  1 settings made for x
+set atom $i y ${y0}
+set atom 94 y ${y0}
+set atom 94 y 8.37164120592174
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 81
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0322040319442937
+variable        y0 equal ${yi}
+variable        y0 equal 7.38692112293505
+
+set             atom $i x ${xnew}
+set             atom 81 x ${xnew}
+set             atom 81 x 0.0660421609878728
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 81 y ${ynew}
+set             atom 81 y 7.30087215032839
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2813   -2.9871562   -2.7352559   -2.7215537 
+    2814   -2.9871562   -2.7352559   -2.7146773 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 81 x ${x0}
+set atom 81 x 0.0322040319442937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 81 y ${y0}
+set atom 81 y 7.38692112293505
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 76
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.0613916098962
+variable        y0 equal ${yi}
+variable        y0 equal 6.54508387581339
+
+set             atom $i x ${xnew}
+set             atom 76 x ${xnew}
+set             atom 76 x 7.98766930698253
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 76 y ${ynew}
+set             atom 76 y 6.63608115450373
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2814   -2.9871562   -2.7352559   -2.7146773 
+    2815   -2.9871562   -2.7352559   -2.6847716 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 76 x ${x0}
+set atom 76 x 8.0613916098962
+  1 settings made for x
+set atom $i y ${y0}
+set atom 76 y ${y0}
+set atom 76 y 6.54508387581339
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 36
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.01815503238536
+variable        y0 equal ${yi}
+variable        y0 equal 2.72729808064798
+
+set             atom $i x ${xnew}
+set             atom 36 x ${xnew}
+set             atom 36 x 8.06178798078395
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 36 y ${ynew}
+set             atom 36 y 2.74185490580896
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2815   -2.9871562   -2.7352559   -2.6847716 
+    2816   -2.9871562   -2.7352559   -2.7346192 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.73461922654459
+variable naccept equal ${increment}
+variable naccept equal 473
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 36
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.06178798078395
+variable        y0 equal ${yi}
+variable        y0 equal 2.74185490580896
+
+set             atom $i x ${xnew}
+set             atom 36 x ${xnew}
+set             atom 36 x 8.02489237188197
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 36 y ${ynew}
+set             atom 36 y 2.70884422036508
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2816   -2.9871562   -2.7346192   -2.7346192 
+    2817   -2.9871562   -2.7346192   -2.7313252 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 36 x ${x0}
+set atom 36 x 8.06178798078395
+  1 settings made for x
+set atom $i y ${y0}
+set atom 36 y ${y0}
+set atom 36 y 2.74185490580896
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 24
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59829139590045
+variable        y0 equal ${yi}
+variable        y0 equal 2.77385951253275
+
+set             atom $i x ${xnew}
+set             atom 24 x ${xnew}
+set             atom 24 x 1.68548083185931
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 24 y ${ynew}
+set             atom 24 y 2.82375657531122
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2817   -2.9871562   -2.7346192   -2.7313252 
+    2818   -2.9871562   -2.7346192    -2.719074 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 24 x ${x0}
+set atom 24 x 1.59829139590045
+  1 settings made for x
+set atom $i y ${y0}
+set atom 24 y ${y0}
+set atom 24 y 2.77385951253275
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.53527552921544
+variable        y0 equal ${yi}
+variable        y0 equal 3.71127284331453
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.59062093336354
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.67420799298418
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2818   -2.9871562   -2.7346192    -2.719074 
+    2819   -2.9871562   -2.7346192   -2.7164654 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 55 x ${x0}
+set atom 55 x 7.53527552921544
+  1 settings made for x
+set atom $i y ${y0}
+set atom 55 y ${y0}
+set atom 55 y 3.71127284331453
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 7
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.22492432355444
+variable        y0 equal ${yi}
+variable        y0 equal 0.0240613460540867
+
+set             atom $i x ${xnew}
+set             atom 7 x ${xnew}
+set             atom 7 x 3.18588270902197
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 7 y ${ynew}
+set             atom 7 y 0.037761545181284
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2819   -2.9871562   -2.7346192   -2.7164654 
+    2820   -2.9871562   -2.7346192   -2.7305204 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 7 x ${x0}
+set atom 7 x 3.22492432355444
+  1 settings made for x
+set atom $i y ${y0}
+set atom 7 y ${y0}
+set atom 7 y 0.0240613460540867
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 27
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.2013416862444
+variable        y0 equal ${yi}
+variable        y0 equal 1.98039417645997
+
+set             atom $i x ${xnew}
+set             atom 27 x ${xnew}
+set             atom 27 x 3.10281997680226
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 27 y ${ynew}
+set             atom 27 y 1.95739068172044
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2820   -2.9871562   -2.7346192   -2.7305204 
+    2821   -2.9871562   -2.7346192   -2.6993644 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 27 x ${x0}
+set atom 27 x 3.2013416862444
+  1 settings made for x
+set atom $i y ${y0}
+set atom 27 y ${y0}
+set atom 27 y 1.98039417645997
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.24420675992527
+variable        y0 equal ${yi}
+variable        y0 equal 3.73567457957399
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.26825663804569
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.65152992768419
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2821   -2.9871562   -2.7346192   -2.6993644 
+    2822   -2.9871562   -2.7346192   -2.7123427 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 47 x ${x0}
+set atom 47 x 3.24420675992527
+  1 settings made for x
+set atom $i y ${y0}
+set atom 47 y ${y0}
+set atom 47 y 3.73567457957399
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 74
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.04742242375061
+variable        y0 equal ${yi}
+variable        y0 equal 6.46128811375131
+
+set             atom $i x ${xnew}
+set             atom 74 x ${xnew}
+set             atom 74 x 7.09703001061127
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 74 y ${ynew}
+set             atom 74 y 6.49502869383325
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2822   -2.9871562   -2.7346192   -2.7123427 
+    2823   -2.9871562   -2.7346192   -2.7211091 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 74 x ${x0}
+set atom 74 x 7.04742242375061
+  1 settings made for x
+set atom $i y ${y0}
+set atom 74 y ${y0}
+set atom 74 y 6.46128811375131
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 50
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.92057361244498
+variable        y0 equal ${yi}
+variable        y0 equal 4.60940848940775
+
+set             atom $i x ${xnew}
+set             atom 50 x ${xnew}
+set             atom 50 x 4.83780635237036
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 50 y ${ynew}
+set             atom 50 y 4.52375934475824
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2823   -2.9871562   -2.7346192   -2.7211091 
+    2824   -2.9871562   -2.7346192   -2.6808256 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 50 x ${x0}
+set atom 50 x 4.92057361244498
+  1 settings made for x
+set atom $i y ${y0}
+set atom 50 y ${y0}
+set atom 50 y 4.60940848940775
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 62
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.654104717174436
+variable        y0 equal ${yi}
+variable        y0 equal 6.49111358658304
+
+set             atom $i x ${xnew}
+set             atom 62 x ${xnew}
+set             atom 62 x 0.68080179254141
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 62 y ${ynew}
+set             atom 62 y 6.46343442932596
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2824   -2.9871562   -2.7346192   -2.6808256 
+    2825   -2.9871562   -2.7346192   -2.7215052 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 62 x ${x0}
+set atom 62 x 0.654104717174436
+  1 settings made for x
+set atom $i y ${y0}
+set atom 62 y ${y0}
+set atom 62 y 6.49111358658304
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 76
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.0613916098962
+variable        y0 equal ${yi}
+variable        y0 equal 6.54508387581339
+
+set             atom $i x ${xnew}
+set             atom 76 x ${xnew}
+set             atom 76 x 8.10630074142315
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 76 y ${ynew}
+set             atom 76 y 6.60853179232111
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2825   -2.9871562   -2.7346192   -2.7215052 
+    2826   -2.9871562   -2.7346192   -2.7317584 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 76 x ${x0}
+set atom 76 x 8.0613916098962
+  1 settings made for x
+set atom $i y ${y0}
+set atom 76 y ${y0}
+set atom 76 y 6.54508387581339
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 8
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.72890197554714
+variable        y0 equal ${yi}
+variable        y0 equal 1.0604893166903
+
+set             atom $i x ${xnew}
+set             atom 8 x ${xnew}
+set             atom 8 x 3.8149127415765
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 8 y ${ynew}
+set             atom 8 y 1.08133778165612
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2826   -2.9871562   -2.7346192   -2.7317584 
+    2827   -2.9871562   -2.7346192   -2.7060666 
+Loop time of 4.29153e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 8 x ${x0}
+set atom 8 x 3.72890197554714
+  1 settings made for x
+set atom $i y ${y0}
+set atom 8 y ${y0}
+set atom 8 y 1.0604893166903
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 82
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.480583484569456
+variable        y0 equal ${yi}
+variable        y0 equal 8.38369611419733
+
+set             atom $i x ${xnew}
+set             atom 82 x ${xnew}
+set             atom 82 x 0.537129850784208
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 82 y ${ynew}
+set             atom 82 y 8.37846516288812
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2827   -2.9871562   -2.7346192   -2.7060666 
+    2828   -2.9871562   -2.7346192   -2.7350283 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.7350282884753
+variable naccept equal ${increment}
+variable naccept equal 474
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.41745940843489
+variable        y0 equal ${yi}
+variable        y0 equal 5.54884942715364
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.39948711791899
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.51152824108797
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2828   -2.9871562   -2.7350283   -2.7350283 
+    2829   -2.9871562   -2.7350283      -2.7282 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 71 x ${x0}
+set atom 71 x 5.41745940843489
+  1 settings made for x
+set atom $i y ${y0}
+set atom 71 y ${y0}
+set atom 71 y 5.54884942715364
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 95
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.50331240732442
+variable        y0 equal ${yi}
+variable        y0 equal 7.44483136263156
+
+set             atom $i x ${xnew}
+set             atom 95 x ${xnew}
+set             atom 95 x 7.40449626285802
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 95 y ${ynew}
+set             atom 95 y 7.43731093731189
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2829   -2.9871562   -2.7350283      -2.7282 
+    2830   -2.9871562   -2.7350283    -2.707295 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 95 x ${x0}
+set atom 95 x 7.50331240732442
+  1 settings made for x
+set atom $i y ${y0}
+set atom 95 y ${y0}
+set atom 95 y 7.44483136263156
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.525174053111937
+variable        y0 equal ${yi}
+variable        y0 equal 0.894475575197066
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.46293288032141
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.869073136556472
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2830   -2.9871562   -2.7350283    -2.707295 
+    2831   -2.9871562   -2.7350283   -2.7324608 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.525174053111937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 0.894475575197066
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.23979663292276
+variable        y0 equal ${yi}
+variable        y0 equal 5.5713402385016
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.27537042538034
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.5052621597548
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2831   -2.9871562   -2.7350283   -2.7324608 
+    2832   -2.9871562   -2.7350283    -2.709815 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 65 x ${x0}
+set atom 65 x 2.23979663292276
+  1 settings made for x
+set atom $i y ${y0}
+set atom 65 y ${y0}
+set atom 65 y 5.5713402385016
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.88060106316253
+variable        y0 equal ${yi}
+variable        y0 equal 0.960105260122139
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.89575364866897
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 0.996047552335579
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2832   -2.9871562   -2.7350283    -2.709815 
+    2833   -2.9871562   -2.7350283   -2.7303977 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 14 x ${x0}
+set atom 14 x 6.88060106316253
+  1 settings made for x
+set atom $i y ${y0}
+set atom 14 y ${y0}
+set atom 14 y 0.960105260122139
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.57288145302412
+variable        y0 equal ${yi}
+variable        y0 equal 3.68945432467593
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.58383195875761
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.69770476384295
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2833   -2.9871562   -2.7350283   -2.7303977 
+    2834   -2.9871562   -2.7350283   -2.7369839 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.73698390052081
+variable naccept equal ${increment}
+variable naccept equal 475
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 64
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.68984863638659
+variable        y0 equal ${yi}
+variable        y0 equal 6.46641751066677
+
+set             atom $i x ${xnew}
+set             atom 64 x ${xnew}
+set             atom 64 x 1.610764287708
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 64 y ${ynew}
+set             atom 64 y 6.56570050255291
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2834   -2.9871562   -2.7369839   -2.7369839 
+    2835   -2.9871562   -2.7369839   -2.7116293 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 64 x ${x0}
+set atom 64 x 1.68984863638659
+  1 settings made for x
+set atom $i y ${y0}
+set atom 64 y ${y0}
+set atom 64 y 6.46641751066677
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 50
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.92057361244498
+variable        y0 equal ${yi}
+variable        y0 equal 4.60940848940775
+
+set             atom $i x ${xnew}
+set             atom 50 x ${xnew}
+set             atom 50 x 4.90417986749945
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 50 y ${ynew}
+set             atom 50 y 4.54816781634256
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2835   -2.9871562   -2.7369839   -2.7116293 
+    2836   -2.9871562   -2.7369839   -2.7205293 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 50 x ${x0}
+set atom 50 x 4.92057361244498
+  1 settings made for x
+set atom $i y ${y0}
+set atom 50 y ${y0}
+set atom 50 y 4.60940848940775
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 97
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.67711982884829
+variable        y0 equal ${yi}
+variable        y0 equal 7.46412369337345
+
+set             atom $i x ${xnew}
+set             atom 97 x ${xnew}
+set             atom 97 x 8.77481959023898
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 97 y ${ynew}
+set             atom 97 y 7.4096861990955
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2836   -2.9871562   -2.7369839   -2.7205293 
+    2837   -2.9871562   -2.7369839   -2.6814752 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 97 x ${x0}
+set atom 97 x 8.67711982884829
+  1 settings made for x
+set atom $i y ${y0}
+set atom 97 y ${y0}
+set atom 97 y 7.46412369337345
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 7
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.22492432355444
+variable        y0 equal ${yi}
+variable        y0 equal 0.0240613460540867
+
+set             atom $i x ${xnew}
+set             atom 7 x ${xnew}
+set             atom 7 x 3.16185431241552
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 7 y ${ynew}
+set             atom 7 y 0.117824912071238
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2837   -2.9871562   -2.7369839   -2.6814752 
+    2838   -2.9871562   -2.7369839    -2.695527 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 7 x ${x0}
+set atom 7 x 3.22492432355444
+  1 settings made for x
+set atom $i y ${y0}
+set atom 7 y ${y0}
+set atom 7 y 0.0240613460540867
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 70
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.89040735601722
+variable        y0 equal ${yi}
+variable        y0 equal 6.45623155371179
+
+set             atom $i x ${xnew}
+set             atom 70 x ${xnew}
+set             atom 70 x 4.94040522217094
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 70 y ${ynew}
+set             atom 70 y 6.48322245613565
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2838   -2.9871562   -2.7369839    -2.695527 
+    2839   -2.9871562   -2.7369839    -2.730715 
+Loop time of 3.88622e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 70 x ${x0}
+set atom 70 x 4.89040735601722
+  1 settings made for x
+set atom $i y ${y0}
+set atom 70 y ${y0}
+set atom 70 y 6.45623155371179
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 8
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.72890197554714
+variable        y0 equal ${yi}
+variable        y0 equal 1.0604893166903
+
+set             atom $i x ${xnew}
+set             atom 8 x ${xnew}
+set             atom 8 x 3.78174237528927
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 8 y ${ynew}
+set             atom 8 y 1.05088165591988
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2839   -2.9871562   -2.7369839    -2.730715 
+    2840   -2.9871562   -2.7369839   -2.7308492 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 8 x ${x0}
+set atom 8 x 3.72890197554714
+  1 settings made for x
+set atom $i y ${y0}
+set atom 8 y ${y0}
+set atom 8 y 1.0604893166903
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.40679665882798
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.45198582356173
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2840   -2.9871562   -2.7369839   -2.7308492 
+    2841   -2.9871562   -2.7369839   -2.7162429 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 60
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.2036228899023
+variable        y0 equal ${yi}
+variable        y0 equal 4.57710585946008
+
+set             atom $i x ${xnew}
+set             atom 60 x ${xnew}
+set             atom 60 x 10.1387429002783
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 60 y ${ynew}
+set             atom 60 y 4.62850686663553
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2841   -2.9871562   -2.7369839   -2.7162429 
+    2842   -2.9871562   -2.7369839   -2.7255773 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 60 x ${x0}
+set atom 60 x 10.2036228899023
+  1 settings made for x
+set atom $i y ${y0}
+set atom 60 y ${y0}
+set atom 60 y 4.57710585946008
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 19
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.57771970509168
+variable        y0 equal ${yi}
+variable        y0 equal 0.0528771042823788
+
+set             atom $i x ${xnew}
+set             atom 19 x ${xnew}
+set             atom 19 x 9.54838641165372
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 19 y ${ynew}
+set             atom 19 y 0.0355846643447872
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2842   -2.9871562   -2.7369839   -2.7255773 
+    2843   -2.9871562   -2.7369839   -2.7337954 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 19 x ${x0}
+set atom 19 x 9.57771970509168
+  1 settings made for x
+set atom $i y ${y0}
+set atom 19 y ${y0}
+set atom 19 y 0.0528771042823788
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 51
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.42402232089902
+variable        y0 equal ${yi}
+variable        y0 equal 3.68856803937089
+
+set             atom $i x ${xnew}
+set             atom 51 x ${xnew}
+set             atom 51 x 5.50094499984647
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 51 y ${ynew}
+set             atom 51 y 3.70379789633882
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2843   -2.9871562   -2.7369839   -2.7337954 
+    2844   -2.9871562   -2.7369839   -2.7217469 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 51 x ${x0}
+set atom 51 x 5.42402232089902
+  1 settings made for x
+set atom $i y ${y0}
+set atom 51 y ${y0}
+set atom 51 y 3.68856803937089
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 67
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.29802477120916
+variable        y0 equal ${yi}
+variable        y0 equal 5.57190024798112
+
+set             atom $i x ${xnew}
+set             atom 67 x ${xnew}
+set             atom 67 x 3.29679337501089
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 67 y ${ynew}
+set             atom 67 y 5.53923573439317
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2844   -2.9871562   -2.7369839   -2.7217469 
+    2845   -2.9871562   -2.7369839   -2.7341621 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 67 x ${x0}
+set atom 67 x 3.29802477120916
+  1 settings made for x
+set atom $i y ${y0}
+set atom 67 y ${y0}
+set atom 67 y 5.57190024798112
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.00678724327727
+variable        y0 equal ${yi}
+variable        y0 equal 4.66030267828866
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 6.91450741568251
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.57411599511071
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2845   -2.9871562   -2.7369839   -2.7341621 
+    2846   -2.9871562   -2.7369839   -2.6721286 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.00678724327727
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.66030267828866
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.78350791255122
+variable        y0 equal ${yi}
+variable        y0 equal 8.3979895225912
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.86914359847194
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.33906223691996
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2846   -2.9871562   -2.7369839   -2.6721286 
+    2847   -2.9871562   -2.7369839   -2.7131516 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.78350791255122
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.3979895225912
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.16921079794274
+variable        y0 equal ${yi}
+variable        y0 equal 1.86157575032777
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.26241013447152
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.80661555907792
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2847   -2.9871562   -2.7369839   -2.7131516 
+    2848   -2.9871562   -2.7369839   -2.7004526 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.16921079794274
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.86157575032777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 47
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.24420675992527
+variable        y0 equal ${yi}
+variable        y0 equal 3.73567457957399
+
+set             atom $i x ${xnew}
+set             atom 47 x ${xnew}
+set             atom 47 x 3.25998548030415
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 47 y ${ynew}
+set             atom 47 y 3.65852319760454
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2848   -2.9871562   -2.7369839   -2.7004526 
+    2849   -2.9871562   -2.7369839   -2.7190751 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 47 x ${x0}
+set atom 47 x 3.24420675992527
+  1 settings made for x
+set atom $i y ${y0}
+set atom 47 y ${y0}
+set atom 47 y 3.73567457957399
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.87285548408023
+variable        y0 equal ${yi}
+variable        y0 equal 8.36937119878825
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.92915312011233
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.29872080005702
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2849   -2.9871562   -2.7369839   -2.7190751 
+    2850   -2.9871562   -2.7369839   -2.7308957 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 92 x ${x0}
+set atom 92 x 5.87285548408023
+  1 settings made for x
+set atom $i y ${y0}
+set atom 92 y ${y0}
+set atom 92 y 8.36937119878825
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.30746670165922
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y -0.0753229856491114
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2850   -2.9871562   -2.7369839   -2.7308957 
+    2851   -2.9871562   -2.7369839   -2.7212526 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59001860499163
+variable        y0 equal ${yi}
+variable        y0 equal 4.68076303357049
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.64269758343478
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.72210311049386
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2851   -2.9871562   -2.7369839   -2.7212526 
+    2852   -2.9871562   -2.7369839   -2.7334065 
+Loop time of 6.10352e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 44 x ${x0}
+set atom 44 x 1.59001860499163
+  1 settings made for x
+set atom $i y ${y0}
+set atom 44 y ${y0}
+set atom 44 y 4.68076303357049
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 97
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.67711982884829
+variable        y0 equal ${yi}
+variable        y0 equal 7.46412369337345
+
+set             atom $i x ${xnew}
+set             atom 97 x ${xnew}
+set             atom 97 x 8.63672733464663
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 97 y ${ynew}
+set             atom 97 y 7.39708643284107
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2852   -2.9871562   -2.7369839   -2.7334065 
+    2853   -2.9871562   -2.7369839   -2.7401168 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.74011682652662
+variable naccept equal ${increment}
+variable naccept equal 476
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80759401837473
+variable        y0 equal ${yi}
+variable        y0 equal 4.6440585290806
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.77466896096354
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.64943774098322
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2853   -2.9871562   -2.7401168   -2.7401168 
+    2854   -2.9871562   -2.7401168    -2.736625 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 48 x ${x0}
+set atom 48 x 3.80759401837473
+  1 settings made for x
+set atom $i y ${y0}
+set atom 48 y ${y0}
+set atom 48 y 4.6440585290806
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 17
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.56200896659319
+variable        y0 equal ${yi}
+variable        y0 equal 9.2929022978577
+
+set             atom $i x ${xnew}
+set             atom 17 x ${xnew}
+set             atom 17 x 8.46673603215639
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 17 y ${ynew}
+set             atom 17 y 9.29884129274219
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2854   -2.9871562   -2.7401168    -2.736625 
+    2855   -2.9871562   -2.7401168   -2.7276947 
+Loop time of 4.29153e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 17 x ${x0}
+set atom 17 x 8.56200896659319
+  1 settings made for x
+set atom $i y ${y0}
+set atom 17 y ${y0}
+set atom 17 y 9.2929022978577
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 4
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.6009168970563
+variable        y0 equal ${yi}
+variable        y0 equal 0.937610264528124
+
+set             atom $i x ${xnew}
+set             atom 4 x ${xnew}
+set             atom 4 x 1.56662630915423
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 4 y ${ynew}
+set             atom 4 y 0.974897797811358
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2855   -2.9871562   -2.7401168   -2.7276947 
+    2856   -2.9871562   -2.7401168   -2.7323997 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 4 x ${x0}
+set atom 4 x 1.6009168970563
+  1 settings made for x
+set atom $i y ${y0}
+set atom 4 y ${y0}
+set atom 4 y 0.937610264528124
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.98549635687515
+variable        y0 equal ${yi}
+variable        y0 equal 2.82734158011773
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 6.92274221459076
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.88717529746392
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2856   -2.9871562   -2.7401168   -2.7323997 
+    2857   -2.9871562   -2.7401168   -2.7211837 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 34 x ${x0}
+set atom 34 x 6.98549635687515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 34 y ${y0}
+set atom 34 y 2.82734158011773
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 17
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.56200896659319
+variable        y0 equal ${yi}
+variable        y0 equal 9.2929022978577
+
+set             atom $i x ${xnew}
+set             atom 17 x ${xnew}
+set             atom 17 x 8.51028349557344
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 17 y ${ynew}
+set             atom 17 y 9.24977608430713
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2857   -2.9871562   -2.7401168   -2.7211837 
+    2858   -2.9871562   -2.7401168   -2.7380442 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 17 x ${x0}
+set atom 17 x 8.56200896659319
+  1 settings made for x
+set atom $i y ${y0}
+set atom 17 y ${y0}
+set atom 17 y 9.2929022978577
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 94
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.99553199091598
+variable        y0 equal ${yi}
+variable        y0 equal 8.37164120592174
+
+set             atom $i x ${xnew}
+set             atom 94 x ${xnew}
+set             atom 94 x 7.01552354374572
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 94 y ${ynew}
+set             atom 94 y 8.46766078390178
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2858   -2.9871562   -2.7401168   -2.7380442 
+    2859   -2.9871562   -2.7401168   -2.7220239 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 94 x ${x0}
+set atom 94 x 6.99553199091598
+  1 settings made for x
+set atom $i y ${y0}
+set atom 94 y ${y0}
+set atom 94 y 8.37164120592174
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 26
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.65179307659102
+variable        y0 equal ${yi}
+variable        y0 equal 2.85066882344583
+
+set             atom $i x ${xnew}
+set             atom 26 x ${xnew}
+set             atom 26 x 2.6060112257762
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 26 y ${ynew}
+set             atom 26 y 2.81676659556726
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2859   -2.9871562   -2.7401168   -2.7220239 
+    2860   -2.9871562   -2.7401168    -2.733221 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 26 x ${x0}
+set atom 26 x 2.65179307659102
+  1 settings made for x
+set atom $i y ${y0}
+set atom 26 y ${y0}
+set atom 26 y 2.85066882344583
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 67
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.29802477120916
+variable        y0 equal ${yi}
+variable        y0 equal 5.57190024798112
+
+set             atom $i x ${xnew}
+set             atom 67 x ${xnew}
+set             atom 67 x 3.37616592406789
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 67 y ${ynew}
+set             atom 67 y 5.49137874787049
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2860   -2.9871562   -2.7401168    -2.733221 
+    2861   -2.9871562   -2.7401168    -2.705455 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 67 x ${x0}
+set atom 67 x 3.29802477120916
+  1 settings made for x
+set atom $i y ${y0}
+set atom 67 y ${y0}
+set atom 67 y 5.57190024798112
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 7
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.22492432355444
+variable        y0 equal ${yi}
+variable        y0 equal 0.0240613460540867
+
+set             atom $i x ${xnew}
+set             atom 7 x ${xnew}
+set             atom 7 x 3.26789675712149
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 7 y ${ynew}
+set             atom 7 y 0.0533625006675816
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2861   -2.9871562   -2.7401168    -2.705455 
+    2862   -2.9871562   -2.7401168   -2.7349808 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 7 x ${x0}
+set atom 7 x 3.22492432355444
+  1 settings made for x
+set atom $i y ${y0}
+set atom 7 y ${y0}
+set atom 7 y 0.0240613460540867
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 12
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.84254707057468
+variable        y0 equal ${yi}
+variable        y0 equal 0.912364717233509
+
+set             atom $i x ${xnew}
+set             atom 12 x ${xnew}
+set             atom 12 x 5.93246039111606
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 12 y ${ynew}
+set             atom 12 y 0.894930155980915
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2862   -2.9871562   -2.7401168   -2.7349808 
+    2863   -2.9871562   -2.7401168   -2.7116075 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 12 x ${x0}
+set atom 12 x 5.84254707057468
+  1 settings made for x
+set atom $i y ${y0}
+set atom 12 y ${y0}
+set atom 12 y 0.912364717233509
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 61
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.7244650800877
+variable        y0 equal ${yi}
+variable        y0 equal 5.51692237799363
+
+set             atom $i x ${xnew}
+set             atom 61 x ${xnew}
+set             atom 61 x 10.7227787812405
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 61 y ${ynew}
+set             atom 61 y 5.47880016510682
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2863   -2.9871562   -2.7401168   -2.7116075 
+    2864   -2.9871562   -2.7401168   -2.7364812 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 61 x ${x0}
+set atom 61 x 10.7244650800877
+  1 settings made for x
+set atom $i y ${y0}
+set atom 61 y ${y0}
+set atom 61 y 5.51692237799363
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 84
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.63794375538607
+variable        y0 equal ${yi}
+variable        y0 equal 8.371298693791
+
+set             atom $i x ${xnew}
+set             atom 84 x ${xnew}
+set             atom 84 x 1.72922425150652
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 84 y ${ynew}
+set             atom 84 y 8.44964396871623
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2864   -2.9871562   -2.7401168   -2.7364812 
+    2865   -2.9871562   -2.7401168   -2.6957987 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 84 x ${x0}
+set atom 84 x 1.63794375538607
+  1 settings made for x
+set atom $i y ${y0}
+set atom 84 y ${y0}
+set atom 84 y 8.371298693791
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 63
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.09178573210888
+variable        y0 equal ${yi}
+variable        y0 equal 5.57776011173921
+
+set             atom $i x ${xnew}
+set             atom 63 x ${xnew}
+set             atom 63 x 1.16747178157024
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 63 y ${ynew}
+set             atom 63 y 5.59250082915025
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2865   -2.9871562   -2.7401168   -2.6957987 
+    2866   -2.9871562   -2.7401168   -2.7317774 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 63 x ${x0}
+set atom 63 x 1.09178573210888
+  1 settings made for x
+set atom $i y ${y0}
+set atom 63 y ${y0}
+set atom 63 y 5.57776011173921
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.5878455599004
+variable        y0 equal ${yi}
+variable        y0 equal 9.28117802846759
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x 10.619244964903
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 9.30595166194766
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2866   -2.9871562   -2.7401168   -2.7317774 
+    2867   -2.9871562   -2.7401168   -2.7460178 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.74601780987061
+variable naccept equal ${increment}
+variable naccept equal 477
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.78350791255122
+variable        y0 equal ${yi}
+variable        y0 equal 8.3979895225912
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.85208652535563
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.46978365100917
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2867   -2.9871562   -2.7460178   -2.7460178 
+    2868   -2.9871562   -2.7460178   -2.6987517 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.78350791255122
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.3979895225912
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 88
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.78350791255122
+variable        y0 equal ${yi}
+variable        y0 equal 8.3979895225912
+
+set             atom $i x ${xnew}
+set             atom 88 x ${xnew}
+set             atom 88 x 3.87894938508159
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 88 y ${ynew}
+set             atom 88 y 8.38299249328669
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2868   -2.9871562   -2.7460178   -2.6987517 
+    2869   -2.9871562   -2.7460178   -2.7121404 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 88 x ${x0}
+set atom 88 x 3.78350791255122
+  1 settings made for x
+set atom $i y ${y0}
+set atom 88 y ${y0}
+set atom 88 y 8.3979895225912
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.53527552921544
+variable        y0 equal ${yi}
+variable        y0 equal 3.71127284331453
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.57565765220891
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.77771908803117
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2869   -2.9871562   -2.7460178   -2.7121404 
+    2870   -2.9871562   -2.7460178   -2.7351062 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 55 x ${x0}
+set atom 55 x 7.53527552921544
+  1 settings made for x
+set atom $i y ${y0}
+set atom 55 y ${y0}
+set atom 55 y 3.71127284331453
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 37
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.51648090043489
+variable        y0 equal ${yi}
+variable        y0 equal 1.84042694947785
+
+set             atom $i x ${xnew}
+set             atom 37 x ${xnew}
+set             atom 37 x 8.50988233247224
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 37 y ${ynew}
+set             atom 37 y 1.9197782315976
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2870   -2.9871562   -2.7460178   -2.7351062 
+    2871   -2.9871562   -2.7460178   -2.7173325 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 37 x ${x0}
+set atom 37 x 8.51648090043489
+  1 settings made for x
+set atom $i y ${y0}
+set atom 37 y ${y0}
+set atom 37 y 1.84042694947785
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 32
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.92034897763721
+variable        y0 equal ${yi}
+variable        y0 equal 2.80042437287667
+
+set             atom $i x ${xnew}
+set             atom 32 x ${xnew}
+set             atom 32 x 5.8285017486333
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 32 y ${ynew}
+set             atom 32 y 2.83328481885293
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2871   -2.9871562   -2.7460178   -2.7173325 
+    2872   -2.9871562   -2.7460178   -2.7191916 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 32 x ${x0}
+set atom 32 x 5.92034897763721
+  1 settings made for x
+set atom $i y ${y0}
+set atom 32 y ${y0}
+set atom 32 y 2.80042437287667
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.81670362273342
+variable        y0 equal ${yi}
+variable        y0 equal 2.85977786752084
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.75732945719845
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.76425763341287
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2872   -2.9871562   -2.7460178   -2.7191916 
+    2873   -2.9871562   -2.7460178   -2.7194484 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.81670362273342
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.85977786752084
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.88060106316253
+variable        y0 equal ${yi}
+variable        y0 equal 0.960105260122139
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.83639247694656
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 0.92730747054847
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2873   -2.9871562   -2.7460178   -2.7194484 
+    2874   -2.9871562   -2.7460178     -2.73703 
+Loop time of 0.042191 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 14 x ${x0}
+set atom 14 x 6.88060106316253
+  1 settings made for x
+set atom $i y ${y0}
+set atom 14 y ${y0}
+set atom 14 y 0.960105260122139
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 49
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.37311956961365
+variable        y0 equal ${yi}
+variable        y0 equal 3.73546738190782
+
+set             atom $i x ${xnew}
+set             atom 49 x ${xnew}
+set             atom 49 x 4.33536183912964
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 49 y ${ynew}
+set             atom 49 y 3.65623250765932
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2874   -2.9871562   -2.7460178     -2.73703 
+    2875   -2.9871562   -2.7460178   -2.7230851 
+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 49 x ${x0}
+set atom 49 x 4.37311956961365
+  1 settings made for x
+set atom $i y ${y0}
+set atom 49 y ${y0}
+set atom 49 y 3.73546738190782
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.0514173328767
+variable        y0 equal ${yi}
+variable        y0 equal 8.32951669611032
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.10657473205425
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.34698636449869
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2875   -2.9871562   -2.7460178   -2.7230851 
+    2876   -2.9871562   -2.7460178   -2.7383096 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.0514173328767
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.32951669611032
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 59
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.58383195875761
+variable        y0 equal ${yi}
+variable        y0 equal 3.69770476384295
+
+set             atom $i x ${xnew}
+set             atom 59 x ${xnew}
+set             atom 59 x 9.52548602102873
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 59 y ${ynew}
+set             atom 59 y 3.73298260731829
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2876   -2.9871562   -2.7460178   -2.7383096 
+    2877   -2.9871562   -2.7460178   -2.7299668 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 59 x ${x0}
+set atom 59 x 9.58383195875761
+  1 settings made for x
+set atom $i y ${y0}
+set atom 59 y ${y0}
+set atom 59 y 3.69770476384295
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 58
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.17698586899788
+variable        y0 equal ${yi}
+variable        y0 equal 4.70937407368584
+
+set             atom $i x ${xnew}
+set             atom 58 x ${xnew}
+set             atom 58 x 9.2417974324897
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 58 y ${ynew}
+set             atom 58 y 4.69672087782784
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2877   -2.9871562   -2.7460178   -2.7299668 
+    2878   -2.9871562   -2.7460178     -2.72773 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 58 x ${x0}
+set atom 58 x 9.17698586899788
+  1 settings made for x
+set atom $i y ${y0}
+set atom 58 y ${y0}
+set atom 58 y 4.70937407368584
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 77
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.60149228730623
+variable        y0 equal ${yi}
+variable        y0 equal 5.64612317030626
+
+set             atom $i x ${xnew}
+set             atom 77 x ${xnew}
+set             atom 77 x 8.57114582219545
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 77 y ${ynew}
+set             atom 77 y 5.58310202305513
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2878   -2.9871562   -2.7460178     -2.72773 
+    2879   -2.9871562   -2.7460178   -2.7450882 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.74508824593695
+variable naccept equal ${increment}
+variable naccept equal 478
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 66
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.75945490796997
+variable        y0 equal ${yi}
+variable        y0 equal 6.47566335932247
+
+set             atom $i x ${xnew}
+set             atom 66 x ${xnew}
+set             atom 66 x 2.70507153470947
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 66 y ${ynew}
+set             atom 66 y 6.43717952505581
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2879   -2.9871562   -2.7450882   -2.7450882 
+    2880   -2.9871562   -2.7450882   -2.7292223 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 66 x ${x0}
+set atom 66 x 2.75945490796997
+  1 settings made for x
+set atom $i y ${y0}
+set atom 66 y ${y0}
+set atom 66 y 6.47566335932247
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 100
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1918648365994
+variable        y0 equal ${yi}
+variable        y0 equal 8.31194528259334
+
+set             atom $i x ${xnew}
+set             atom 100 x ${xnew}
+set             atom 100 x 10.1914764288922
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 100 y ${ynew}
+set             atom 100 y 8.26480926193294
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2880   -2.9871562   -2.7450882   -2.7292223 
+    2881   -2.9871562   -2.7450882   -2.7371463 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 100 x ${x0}
+set atom 100 x 10.1918648365994
+  1 settings made for x
+set atom $i y ${y0}
+set atom 100 y ${y0}
+set atom 100 y 8.31194528259334
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 35
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.41105691034568
+variable        y0 equal ${yi}
+variable        y0 equal 1.86285059831208
+
+set             atom $i x ${xnew}
+set             atom 35 x ${xnew}
+set             atom 35 x 7.34556621153129
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 35 y ${ynew}
+set             atom 35 y 1.93229205987519
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2881   -2.9871562   -2.7450882   -2.7371463 
+    2882   -2.9871562   -2.7450882   -2.7182457 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 35 x ${x0}
+set atom 35 x 7.41105691034568
+  1 settings made for x
+set atom $i y ${y0}
+set atom 35 y ${y0}
+set atom 35 y 1.86285059831208
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31596373716261
+variable        y0 equal ${yi}
+variable        y0 equal 1.83819601914949
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.36107815900709
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 1.82045663974351
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2882   -2.9871562   -2.7450882   -2.7182457 
+    2883   -2.9871562   -2.7450882   -2.7391164 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 31 x ${x0}
+set atom 31 x 5.31596373716261
+  1 settings made for x
+set atom $i y ${y0}
+set atom 31 y ${y0}
+set atom 31 y 1.83819601914949
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 60
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.2036228899023
+variable        y0 equal ${yi}
+variable        y0 equal 4.57710585946008
+
+set             atom $i x ${xnew}
+set             atom 60 x ${xnew}
+set             atom 60 x 10.2488846186659
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 60 y ${ynew}
+set             atom 60 y 4.49544091576501
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2883   -2.9871562   -2.7450882   -2.7391164 
+    2884   -2.9871562   -2.7450882   -2.7150861 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 60 x ${x0}
+set atom 60 x 10.2036228899023
+  1 settings made for x
+set atom $i y ${y0}
+set atom 60 y ${y0}
+set atom 60 y 4.57710585946008
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 81
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0322040319442937
+variable        y0 equal ${yi}
+variable        y0 equal 7.38692112293505
+
+set             atom $i x ${xnew}
+set             atom 81 x ${xnew}
+set             atom 81 x 0.0871964335441777
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 81 y ${ynew}
+set             atom 81 y 7.46553445186877
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2884   -2.9871562   -2.7450882   -2.7150861 
+    2885   -2.9871562   -2.7450882   -2.7389102 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 81 x ${x0}
+set atom 81 x 0.0322040319442937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 81 y ${y0}
+set atom 81 y 7.38692112293505
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 62
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.654104717174436
+variable        y0 equal ${yi}
+variable        y0 equal 6.49111358658304
+
+set             atom $i x ${xnew}
+set             atom 62 x ${xnew}
+set             atom 62 x 0.647362239757444
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 62 y ${ynew}
+set             atom 62 y 6.49172300831308
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2885   -2.9871562   -2.7450882   -2.7389102 
+    2886   -2.9871562   -2.7450882   -2.7463865 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.74638648884633
+variable naccept equal ${increment}
+variable naccept equal 479
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 100
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1918648365994
+variable        y0 equal ${yi}
+variable        y0 equal 8.31194528259334
+
+set             atom $i x ${xnew}
+set             atom 100 x ${xnew}
+set             atom 100 x 10.1316761855145
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 100 y ${ynew}
+set             atom 100 y 8.39167008318004
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2886   -2.9871562   -2.7463865   -2.7463865 
+    2887   -2.9871562   -2.7463865   -2.7428415 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 100 x ${x0}
+set atom 100 x 10.1918648365994
+  1 settings made for x
+set atom $i y ${y0}
+set atom 100 y ${y0}
+set atom 100 y 8.31194528259334
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31596373716261
+variable        y0 equal ${yi}
+variable        y0 equal 1.83819601914949
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.28429228464033
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 1.78084020993776
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2887   -2.9871562   -2.7463865   -2.7428415 
+    2888   -2.9871562   -2.7463865   -2.7349875 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 31 x ${x0}
+set atom 31 x 5.31596373716261
+  1 settings made for x
+set atom $i y ${y0}
+set atom 31 y ${y0}
+set atom 31 y 1.83819601914949
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.53527552921544
+variable        y0 equal ${yi}
+variable        y0 equal 3.71127284331453
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.57544324238072
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.68846340937746
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2888   -2.9871562   -2.7463865   -2.7349875 
+    2889   -2.9871562   -2.7463865   -2.7365256 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 55 x ${x0}
+set atom 55 x 7.53527552921544
+  1 settings made for x
+set atom $i y ${y0}
+set atom 55 y ${y0}
+set atom 55 y 3.71127284331453
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.32252682526322
+variable        y0 equal ${yi}
+variable        y0 equal 7.38917808857226
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.37924490053864
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.38926897373461
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2889   -2.9871562   -2.7463865   -2.7365256 
+    2890   -2.9871562   -2.7463865   -2.7376317 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 89 x ${x0}
+set atom 89 x 4.32252682526322
+  1 settings made for x
+set atom $i y ${y0}
+set atom 89 y ${y0}
+set atom 89 y 7.38917808857226
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.13902074734077
+variable        y0 equal ${yi}
+variable        y0 equal 9.29444277990191
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 2.18382800260887
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y 9.23138658511965
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2890   -2.9871562   -2.7463865   -2.7376317 
+    2891   -2.9871562   -2.7463865   -2.7330712 
+Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 5 x ${x0}
+set atom 5 x 2.13902074734077
+  1 settings made for x
+set atom $i y ${y0}
+set atom 5 y ${y0}
+set atom 5 y 9.29444277990191
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 9
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.27178276856155
+variable        y0 equal ${yi}
+variable        y0 equal 0.00600513219834582
+
+set             atom $i x ${xnew}
+set             atom 9 x ${xnew}
+set             atom 9 x 4.20846890289993
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 9 y ${ynew}
+set             atom 9 y -0.0873478889465211
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2891   -2.9871562   -2.7463865   -2.7330712 
+    2892   -2.9871562   -2.7463865   -2.6922293 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 9 x ${x0}
+set atom 9 x 4.27178276856155
+  1 settings made for x
+set atom $i y ${y0}
+set atom 9 y ${y0}
+set atom 9 y 0.00600513219834582
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59001860499163
+variable        y0 equal ${yi}
+variable        y0 equal 4.68076303357049
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.58529851317187
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.70976494902536
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2892   -2.9871562   -2.7463865   -2.6922293 
+    2893   -2.9871562   -2.7463865   -2.7416324 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 44 x ${x0}
+set atom 44 x 1.59001860499163
+  1 settings made for x
+set atom $i y ${y0}
+set atom 44 y ${y0}
+set atom 44 y 4.68076303357049
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 3
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.02897904236965
+variable        y0 equal ${yi}
+variable        y0 equal 9.27259716499179
+
+set             atom $i x ${xnew}
+set             atom 3 x ${xnew}
+set             atom 3 x 0.991186252433584
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 3 y ${ynew}
+set             atom 3 y 9.23895915258258
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2893   -2.9871562   -2.7463865   -2.7416324 
+    2894   -2.9871562   -2.7463865    -2.734163 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 3 x ${x0}
+set atom 3 x 1.02897904236965
+  1 settings made for x
+set atom $i y ${y0}
+set atom 3 y ${y0}
+set atom 3 y 9.27259716499179
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.23979663292276
+variable        y0 equal ${yi}
+variable        y0 equal 5.5713402385016
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.16303541103708
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.55003341381746
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2894   -2.9871562   -2.7463865    -2.734163 
+    2895   -2.9871562   -2.7463865   -2.7477109 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.74771086926314
+variable naccept equal ${increment}
+variable naccept equal 480
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 26
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.65179307659102
+variable        y0 equal ${yi}
+variable        y0 equal 2.85066882344583
+
+set             atom $i x ${xnew}
+set             atom 26 x ${xnew}
+set             atom 26 x 2.58917147119475
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 26 y ${ynew}
+set             atom 26 y 2.86258337470392
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2895   -2.9871562   -2.7477109   -2.7477109 
+    2896   -2.9871562   -2.7477109   -2.7342558 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 26 x ${x0}
+set atom 26 x 2.65179307659102
+  1 settings made for x
+set atom $i y ${y0}
+set atom 26 y ${y0}
+set atom 26 y 2.85066882344583
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 34
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.98549635687515
+variable        y0 equal ${yi}
+variable        y0 equal 2.82734158011773
+
+set             atom $i x ${xnew}
+set             atom 34 x ${xnew}
+set             atom 34 x 6.95474745312378
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 34 y ${ynew}
+set             atom 34 y 2.88480740758279
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2896   -2.9871562   -2.7477109   -2.7342558 
+    2897   -2.9871562   -2.7477109   -2.7356341 
+Loop time of 8.29697e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 34 x ${x0}
+set atom 34 x 6.98549635687515
+  1 settings made for x
+set atom $i y ${y0}
+set atom 34 y ${y0}
+set atom 34 y 2.82734158011773
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.95025718807079
+variable        y0 equal ${yi}
+variable        y0 equal 0.949378951299518
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 7.99898086189128
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 1.02304260324272
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2897   -2.9871562   -2.7477109   -2.7356341 
+    2898   -2.9871562   -2.7477109   -2.7211955 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 16 x ${x0}
+set atom 16 x 7.95025718807079
+  1 settings made for x
+set atom $i y ${y0}
+set atom 16 y ${y0}
+set atom 16 y 0.949378951299518
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 94
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.99553199091598
+variable        y0 equal ${yi}
+variable        y0 equal 8.37164120592174
+
+set             atom $i x ${xnew}
+set             atom 94 x ${xnew}
+set             atom 94 x 7.08363352099105
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 94 y ${ynew}
+set             atom 94 y 8.44633307375011
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2898   -2.9871562   -2.7477109   -2.7211955 
+    2899   -2.9871562   -2.7477109   -2.7106872 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 94 x ${x0}
+set atom 94 x 6.99553199091598
+  1 settings made for x
+set atom $i y ${y0}
+set atom 94 y ${y0}
+set atom 94 y 8.37164120592174
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 11
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31181888976957
+variable        y0 equal ${yi}
+variable        y0 equal 0.00601137876510371
+
+set             atom $i x ${xnew}
+set             atom 11 x ${xnew}
+set             atom 11 x 5.38708724180128
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 11 y ${ynew}
+set             atom 11 y 0.0852705717086767
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2899   -2.9871562   -2.7477109   -2.7106872 
+    2900   -2.9871562   -2.7477109   -2.7150233 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 11 x ${x0}
+set atom 11 x 5.31181888976957
+  1 settings made for x
+set atom $i y ${y0}
+set atom 11 y ${y0}
+set atom 11 y 0.00601137876510371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 56
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.10495061277249
+variable        y0 equal ${yi}
+variable        y0 equal 4.66507560366557
+
+set             atom $i x ${xnew}
+set             atom 56 x ${xnew}
+set             atom 56 x 8.11024232505658
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 56 y ${ynew}
+set             atom 56 y 4.63128328675197
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2900   -2.9871562   -2.7477109   -2.7150233 
+    2901   -2.9871562   -2.7477109   -2.7477588 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.74775879703239
+variable naccept equal ${increment}
+variable naccept equal 481
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.26957070906373
+variable        y0 equal ${yi}
+variable        y0 equal 1.93462480685777
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.2088931449196
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.9405924715764
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2901   -2.9871562   -2.7477588   -2.7477588 
+    2902   -2.9871562   -2.7477588   -2.7360019 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.26957070906373
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.93462480685777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 27
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.2013416862444
+variable        y0 equal ${yi}
+variable        y0 equal 1.98039417645997
+
+set             atom $i x ${xnew}
+set             atom 27 x ${xnew}
+set             atom 27 x 3.29144809007207
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 27 y ${ynew}
+set             atom 27 y 1.93175527236527
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2902   -2.9871562   -2.7477588   -2.7360019 
+    2903   -2.9871562   -2.7477588    -2.724217 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 27 x ${x0}
+set atom 27 x 3.2013416862444
+  1 settings made for x
+set atom $i y ${y0}
+set atom 27 y ${y0}
+set atom 27 y 1.98039417645997
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 48
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.80759401837473
+variable        y0 equal ${yi}
+variable        y0 equal 4.6440585290806
+
+set             atom $i x ${xnew}
+set             atom 48 x ${xnew}
+set             atom 48 x 3.75519778052454
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 48 y ${ynew}
+set             atom 48 y 4.67849964255258
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2903   -2.9871562   -2.7477588    -2.724217 
+    2904   -2.9871562   -2.7477588   -2.7357003 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 48 x ${x0}
+set atom 48 x 3.80759401837473
+  1 settings made for x
+set atom $i y ${y0}
+set atom 48 y ${y0}
+set atom 48 y 4.6440585290806
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 76
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.0613916098962
+variable        y0 equal ${yi}
+variable        y0 equal 6.54508387581339
+
+set             atom $i x ${xnew}
+set             atom 76 x ${xnew}
+set             atom 76 x 8.02383785842754
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 76 y ${ynew}
+set             atom 76 y 6.55223035351267
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2904   -2.9871562   -2.7477588   -2.7357003 
+    2905   -2.9871562   -2.7477588   -2.7386892 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 76 x ${x0}
+set atom 76 x 8.0613916098962
+  1 settings made for x
+set atom $i y ${y0}
+set atom 76 y ${y0}
+set atom 76 y 6.54508387581339
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.46380938370438
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.52789572422702
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2905   -2.9871562   -2.7477588   -2.7386892 
+    2906   -2.9871562   -2.7477588   -2.7178369 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 78
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.15111655909569
+variable        y0 equal ${yi}
+variable        y0 equal 6.52915453449718
+
+set             atom $i x ${xnew}
+set             atom 78 x ${xnew}
+set             atom 78 x 9.22650869805367
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 78 y ${ynew}
+set             atom 78 y 6.45403439537517
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2906   -2.9871562   -2.7477588   -2.7178369 
+    2907   -2.9871562   -2.7477588   -2.7031758 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 78 x ${x0}
+set atom 78 x 9.15111655909569
+  1 settings made for x
+set atom $i y ${y0}
+set atom 78 y ${y0}
+set atom 78 y 6.52915453449718
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.54984512486879
+variable        y0 equal ${yi}
+variable        y0 equal 3.69442252679001
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.45482155242387
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.66252357525955
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2907   -2.9871562   -2.7477588   -2.7031758 
+    2908   -2.9871562   -2.7477588   -2.6961529 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 57 x ${x0}
+set atom 57 x 8.54984512486879
+  1 settings made for x
+set atom $i y ${y0}
+set atom 57 y ${y0}
+set atom 57 y 3.69442252679001
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 65
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.16303541103708
+variable        y0 equal ${yi}
+variable        y0 equal 5.55003341381746
+
+set             atom $i x ${xnew}
+set             atom 65 x ${xnew}
+set             atom 65 x 2.06573429743158
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 65 y ${ynew}
+set             atom 65 y 5.53099694197374
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2908   -2.9871562   -2.7477588   -2.6961529 
+    2909   -2.9871562   -2.7477588   -2.7131946 
+Loop time of 7.70092e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 65 x ${x0}
+set atom 65 x 2.16303541103708
+  1 settings made for x
+set atom $i y ${y0}
+set atom 65 y ${y0}
+set atom 65 y 5.55003341381746
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 26
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.65179307659102
+variable        y0 equal ${yi}
+variable        y0 equal 2.85066882344583
+
+set             atom $i x ${xnew}
+set             atom 26 x ${xnew}
+set             atom 26 x 2.69691460330916
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 26 y ${ynew}
+set             atom 26 y 2.82776889773706
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2909   -2.9871562   -2.7477588   -2.7131946 
+    2910   -2.9871562   -2.7477588   -2.7439953 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 26 x ${x0}
+set atom 26 x 2.65179307659102
+  1 settings made for x
+set atom $i y ${y0}
+set atom 26 y ${y0}
+set atom 26 y 2.85066882344583
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 87
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.26613374709645
+variable        y0 equal ${yi}
+variable        y0 equal 7.43164389457965
+
+set             atom $i x ${xnew}
+set             atom 87 x ${xnew}
+set             atom 87 x 3.21757472514668
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 87 y ${ynew}
+set             atom 87 y 7.34494263258243
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2910   -2.9871562   -2.7477588   -2.7439953 
+    2911   -2.9871562   -2.7477588   -2.7300846 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 87 x ${x0}
+set atom 87 x 3.26613374709645
+  1 settings made for x
+set atom $i y ${y0}
+set atom 87 y ${y0}
+set atom 87 y 7.43164389457965
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.81670362273342
+variable        y0 equal ${yi}
+variable        y0 equal 2.85977786752084
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.77867908993847
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.94992699595788
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2911   -2.9871562   -2.7477588   -2.7300846 
+    2912   -2.9871562   -2.7477588   -2.7193088 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.81670362273342
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.85977786752084
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.94641846377841
+variable        y0 equal ${yi}
+variable        y0 equal 4.67712874764368
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 5.88042734820834
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.60404485815927
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2912   -2.9871562   -2.7477588   -2.7193088 
+    2913   -2.9871562   -2.7477588   -2.7276799 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 52 x ${x0}
+set atom 52 x 5.94641846377841
+  1 settings made for x
+set atom $i y ${y0}
+set atom 52 y ${y0}
+set atom 52 y 4.67712874764368
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 68
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.8275111011613
+variable        y0 equal ${yi}
+variable        y0 equal 6.48541394011011
+
+set             atom $i x ${xnew}
+set             atom 68 x ${xnew}
+set             atom 68 x 3.7746969393838
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 68 y ${ynew}
+set             atom 68 y 6.40185358063211
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2913   -2.9871562   -2.7477588   -2.7276799 
+    2914   -2.9871562   -2.7477588   -2.7232888 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 68 x ${x0}
+set atom 68 x 3.8275111011613
+  1 settings made for x
+set atom $i y ${y0}
+set atom 68 y ${y0}
+set atom 68 y 6.48541394011011
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.12605889161282
+variable        y0 equal ${yi}
+variable        y0 equal 7.46482060280108
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.04262695630246
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.55422830906176
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2914   -2.9871562   -2.7477588   -2.7232888 
+    2915   -2.9871562   -2.7477588    -2.717943 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.12605889161282
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.46482060280108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1299801353476
+variable        y0 equal ${yi}
+variable        y0 equal 2.75316406461099
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.1912590507529
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.70935668917993
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2915   -2.9871562   -2.7477588    -2.717943 
+    2916   -2.9871562   -2.7477588   -2.7457745 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.1299801353476
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.75316406461099
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 38
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.09958864171057
+variable        y0 equal ${yi}
+variable        y0 equal 2.75573046180108
+
+set             atom $i x ${xnew}
+set             atom 38 x ${xnew}
+set             atom 38 x 9.07846724707632
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 38 y ${ynew}
+set             atom 38 y 2.81085488768914
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2916   -2.9871562   -2.7477588   -2.7457745 
+    2917   -2.9871562   -2.7477588   -2.7416625 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 38 x ${x0}
+set atom 38 x 9.09958864171057
+  1 settings made for x
+set atom $i y ${y0}
+set atom 38 y ${y0}
+set atom 38 y 2.75573046180108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31596373716261
+variable        y0 equal ${yi}
+variable        y0 equal 1.83819601914949
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.2603498140898
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 1.89800306937761
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2917   -2.9871562   -2.7477588   -2.7416625 
+    2918   -2.9871562   -2.7477588    -2.724668 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 31 x ${x0}
+set atom 31 x 5.31596373716261
+  1 settings made for x
+set atom $i y ${y0}
+set atom 31 y ${y0}
+set atom 31 y 1.83819601914949
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 80
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.29028950968
+variable        y0 equal ${yi}
+variable        y0 equal 6.46599212423793
+
+set             atom $i x ${xnew}
+set             atom 80 x ${xnew}
+set             atom 80 x 10.2153160575888
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 80 y ${ynew}
+set             atom 80 y 6.55612825886241
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2918   -2.9871562   -2.7477588    -2.724668 
+    2919   -2.9871562   -2.7477588   -2.7256837 
+Loop time of 9.10759e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 80 x ${x0}
+set atom 80 x 10.29028950968
+  1 settings made for x
+set atom $i y ${y0}
+set atom 80 y ${y0}
+set atom 80 y 6.46599212423793
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59001860499163
+variable        y0 equal ${yi}
+variable        y0 equal 4.68076303357049
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.60919670939226
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.7568897878544
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2919   -2.9871562   -2.7477588   -2.7256837 
+    2920   -2.9871562   -2.7477588   -2.7174376 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 44 x ${x0}
+set atom 44 x 1.59001860499163
+  1 settings made for x
+set atom $i y ${y0}
+set atom 44 y ${y0}
+set atom 44 y 4.68076303357049
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 99
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.7112571763861
+variable        y0 equal ${yi}
+variable        y0 equal 7.38156818475986
+
+set             atom $i x ${xnew}
+set             atom 99 x ${xnew}
+set             atom 99 x 9.77421498774169
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 99 y ${ynew}
+set             atom 99 y 7.4674665483501
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2920   -2.9871562   -2.7477588   -2.7174376 
+    2921   -2.9871562   -2.7477588   -2.7164332 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 99 x ${x0}
+set atom 99 x 9.7112571763861
+  1 settings made for x
+set atom $i y ${y0}
+set atom 99 y ${y0}
+set atom 99 y 7.38156818475986
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 83
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.12605889161282
+variable        y0 equal ${yi}
+variable        y0 equal 7.46482060280108
+
+set             atom $i x ${xnew}
+set             atom 83 x ${xnew}
+set             atom 83 x 1.2091362746542
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 83 y ${ynew}
+set             atom 83 y 7.46544181432986
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2921   -2.9871562   -2.7477588   -2.7164332 
+    2922   -2.9871562   -2.7477588   -2.7256726 
+Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 83 x ${x0}
+set atom 83 x 1.12605889161282
+  1 settings made for x
+set atom $i y ${y0}
+set atom 83 y ${y0}
+set atom 83 y 7.46482060280108
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 55
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.53527552921544
+variable        y0 equal ${yi}
+variable        y0 equal 3.71127284331453
+
+set             atom $i x ${xnew}
+set             atom 55 x ${xnew}
+set             atom 55 x 7.47175482351552
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 55 y ${ynew}
+set             atom 55 y 3.66475013060701
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2922   -2.9871562   -2.7477588   -2.7256726 
+    2923   -2.9871562   -2.7477588   -2.7290379 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 55 x ${x0}
+set atom 55 x 7.53527552921544
+  1 settings made for x
+set atom $i y ${y0}
+set atom 55 y ${y0}
+set atom 55 y 3.71127284331453
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 1
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.619244964903
+variable        y0 equal ${yi}
+variable        y0 equal 9.30595166194766
+
+set             atom $i x ${xnew}
+set             atom 1 x ${xnew}
+set             atom 1 x 10.6525439341718
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 1 y ${ynew}
+set             atom 1 y 9.31428907621234
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2923   -2.9871562   -2.7477588   -2.7290379 
+    2924   -2.9871562   -2.7477588    -2.750775 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.75077496461446
+variable naccept equal ${increment}
+variable naccept equal 482
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 29
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.26957070906373
+variable        y0 equal ${yi}
+variable        y0 equal 1.93462480685777
+
+set             atom $i x ${xnew}
+set             atom 29 x ${xnew}
+set             atom 29 x 4.21087946970674
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 29 y ${ynew}
+set             atom 29 y 1.90441664836473
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2924   -2.9871562    -2.750775    -2.750775 
+    2925   -2.9871562    -2.750775   -2.7380846 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 29 x ${x0}
+set atom 29 x 4.26957070906373
+  1 settings made for x
+set atom $i y ${y0}
+set atom 29 y ${y0}
+set atom 29 y 1.93462480685777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.81670362273342
+variable        y0 equal ${yi}
+variable        y0 equal 2.85977786752084
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.78851652661449
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.84074224206308
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2925   -2.9871562    -2.750775   -2.7380846 
+    2926   -2.9871562    -2.750775   -2.7527209 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.75272091727002
+variable naccept equal ${increment}
+variable naccept equal 483
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 87
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.26613374709645
+variable        y0 equal ${yi}
+variable        y0 equal 7.43164389457965
+
+set             atom $i x ${xnew}
+set             atom 87 x ${xnew}
+set             atom 87 x 3.1811347460703
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 87 y ${ynew}
+set             atom 87 y 7.48603480186725
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2926   -2.9871562   -2.7527209   -2.7527209 
+    2927   -2.9871562   -2.7527209   -2.7357499 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 87 x ${x0}
+set atom 87 x 3.26613374709645
+  1 settings made for x
+set atom $i y ${y0}
+set atom 87 y ${y0}
+set atom 87 y 7.43164389457965
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.00678724327727
+variable        y0 equal ${yi}
+variable        y0 equal 4.66030267828866
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 7.00183905640288
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.72504966610833
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2927   -2.9871562   -2.7527209   -2.7357499 
+    2928   -2.9871562   -2.7527209   -2.7375193 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.00678724327727
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.66030267828866
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.98599239308387
+variable        y0 equal ${yi}
+variable        y0 equal 0.925951715219346
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 9.04312014300376
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 1.00520852397713
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2928   -2.9871562   -2.7527209   -2.7375193 
+    2929   -2.9871562   -2.7527209   -2.7387441 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 18 x ${x0}
+set atom 18 x 8.98599239308387
+  1 settings made for x
+set atom $i y ${y0}
+set atom 18 y ${y0}
+set atom 18 y 0.925951715219346
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 87
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.26613374709645
+variable        y0 equal ${yi}
+variable        y0 equal 7.43164389457965
+
+set             atom $i x ${xnew}
+set             atom 87 x ${xnew}
+set             atom 87 x 3.25118179082432
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 87 y ${ynew}
+set             atom 87 y 7.52136857834125
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2929   -2.9871562   -2.7527209   -2.7387441 
+    2930   -2.9871562   -2.7527209   -2.7402144 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 87 x ${x0}
+set atom 87 x 3.26613374709645
+  1 settings made for x
+set atom $i y ${y0}
+set atom 87 y ${y0}
+set atom 87 y 7.43164389457965
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 25
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.16921079794274
+variable        y0 equal ${yi}
+variable        y0 equal 1.86157575032777
+
+set             atom $i x ${xnew}
+set             atom 25 x ${xnew}
+set             atom 25 x 2.19794365803109
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 25 y ${ynew}
+set             atom 25 y 1.8117689766652
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2930   -2.9871562   -2.7527209   -2.7402144 
+    2931   -2.9871562   -2.7527209   -2.7443636 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 25 x ${x0}
+set atom 25 x 2.16921079794274
+  1 settings made for x
+set atom $i y ${y0}
+set atom 25 y ${y0}
+set atom 25 y 1.86157575032777
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 71
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.41745940843489
+variable        y0 equal ${yi}
+variable        y0 equal 5.54884942715364
+
+set             atom $i x ${xnew}
+set             atom 71 x ${xnew}
+set             atom 71 x 5.38263498941328
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 71 y ${ynew}
+set             atom 71 y 5.47153434698778
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2931   -2.9871562   -2.7527209   -2.7443636 
+    2932   -2.9871562   -2.7527209   -2.7267269 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 71 x ${x0}
+set atom 71 x 5.41745940843489
+  1 settings made for x
+set atom $i y ${y0}
+set atom 71 y ${y0}
+set atom 71 y 5.54884942715364
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1717276934643
+variable        y0 equal ${yi}
+variable        y0 equal 0.945514078843921
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.0902509097119
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 1.00877742360863
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2932   -2.9871562   -2.7527209   -2.7267269 
+    2933   -2.9871562   -2.7527209   -2.7303785 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 20 x ${x0}
+set atom 20 x 10.1717276934643
+  1 settings made for x
+set atom $i y ${y0}
+set atom 20 y ${y0}
+set atom 20 y 0.945514078843921
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 33
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.35099447487909
+variable        y0 equal ${yi}
+variable        y0 equal 1.92307773015564
+
+set             atom $i x ${xnew}
+set             atom 33 x ${xnew}
+set             atom 33 x 6.31178133009988
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 33 y ${ynew}
+set             atom 33 y 1.99272128722733
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2933   -2.9871562   -2.7527209   -2.7303785 
+    2934   -2.9871562   -2.7527209   -2.6848407 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 33 x ${x0}
+set atom 33 x 6.35099447487909
+  1 settings made for x
+set atom $i y ${y0}
+set atom 33 y ${y0}
+set atom 33 y 1.92307773015564
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 81
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.0322040319442937
+variable        y0 equal ${yi}
+variable        y0 equal 7.38692112293505
+
+set             atom $i x ${xnew}
+set             atom 81 x ${xnew}
+set             atom 81 x 0.0255066394806096
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 81 y ${ynew}
+set             atom 81 y 7.29598323431277
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2934   -2.9871562   -2.7527209   -2.6848407 
+    2935   -2.9871562   -2.7527209   -2.7242848 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 81 x ${x0}
+set atom 81 x 0.0322040319442937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 81 y ${y0}
+set atom 81 y 7.38692112293505
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 84
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.63794375538607
+variable        y0 equal ${yi}
+variable        y0 equal 8.371298693791
+
+set             atom $i x ${xnew}
+set             atom 84 x ${xnew}
+set             atom 84 x 1.59730152964373
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 84 y ${ynew}
+set             atom 84 y 8.36263846077022
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2935   -2.9871562   -2.7527209   -2.7242848 
+    2936   -2.9871562   -2.7527209   -2.7497333 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 84 x ${x0}
+set atom 84 x 1.63794375538607
+  1 settings made for x
+set atom $i y ${y0}
+set atom 84 y ${y0}
+set atom 84 y 8.371298693791
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 33
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.35099447487909
+variable        y0 equal ${yi}
+variable        y0 equal 1.92307773015564
+
+set             atom $i x ${xnew}
+set             atom 33 x ${xnew}
+set             atom 33 x 6.32385683774072
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 33 y ${ynew}
+set             atom 33 y 1.96152996203964
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2936   -2.9871562   -2.7527209   -2.7497333 
+    2937   -2.9871562   -2.7527209   -2.7242144 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 33 x ${x0}
+set atom 33 x 6.35099447487909
+  1 settings made for x
+set atom $i y ${y0}
+set atom 33 y ${y0}
+set atom 33 y 1.92307773015564
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 46
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.74000067909193
+variable        y0 equal ${yi}
+variable        y0 equal 4.67914612645074
+
+set             atom $i x ${xnew}
+set             atom 46 x ${xnew}
+set             atom 46 x 2.77856724460554
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 46 y ${ynew}
+set             atom 46 y 4.59579542035028
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2937   -2.9871562   -2.7527209   -2.7242144 
+    2938   -2.9871562   -2.7527209    -2.732258 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 46 x ${x0}
+set atom 46 x 2.74000067909193
+  1 settings made for x
+set atom $i y ${y0}
+set atom 46 y ${y0}
+set atom 46 y 4.67914612645074
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59001860499163
+variable        y0 equal ${yi}
+variable        y0 equal 4.68076303357049
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.50563201784869
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.75688494795724
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2938   -2.9871562   -2.7527209    -2.732258 
+    2939   -2.9871562   -2.7527209   -2.6958244 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 44 x ${x0}
+set atom 44 x 1.59001860499163
+  1 settings made for x
+set atom $i y ${y0}
+set atom 44 y ${y0}
+set atom 44 y 4.68076303357049
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.36143123308087
+variable        y0 equal ${yi}
+variable        y0 equal 7.41034705963397
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.32306498685742
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.38850168314242
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2939   -2.9871562   -2.7527209   -2.6958244 
+    2940   -2.9871562   -2.7527209    -2.743933 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 91 x ${x0}
+set atom 91 x 5.36143123308087
+  1 settings made for x
+set atom $i y ${y0}
+set atom 91 y ${y0}
+set atom 91 y 7.41034705963397
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 31
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.31596373716261
+variable        y0 equal ${yi}
+variable        y0 equal 1.83819601914949
+
+set             atom $i x ${xnew}
+set             atom 31 x ${xnew}
+set             atom 31 x 5.41161779561903
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 31 y ${ynew}
+set             atom 31 y 1.75763559720583
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2940   -2.9871562   -2.7527209    -2.743933 
+    2941   -2.9871562   -2.7527209   -2.7038197 
+Loop time of 6.00815e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 31 x ${x0}
+set atom 31 x 5.31596373716261
+  1 settings made for x
+set atom $i y ${y0}
+set atom 31 y ${y0}
+set atom 31 y 1.83819601914949
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 2
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.525174053111937
+variable        y0 equal ${yi}
+variable        y0 equal 0.894475575197066
+
+set             atom $i x ${xnew}
+set             atom 2 x ${xnew}
+set             atom 2 x 0.458530326286223
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 2 y ${ynew}
+set             atom 2 y 0.958068867433394
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2941   -2.9871562   -2.7527209   -2.7038197 
+    2942   -2.9871562   -2.7527209   -2.7441151 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 2 x ${x0}
+set atom 2 x 0.525174053111937
+  1 settings made for x
+set atom $i y ${y0}
+set atom 2 y ${y0}
+set atom 2 y 0.894475575197066
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 39
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.58521930454847
+variable        y0 equal ${yi}
+variable        y0 equal 1.81828533790177
+
+set             atom $i x ${xnew}
+set             atom 39 x ${xnew}
+set             atom 39 x 9.59200809477445
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 39 y ${ynew}
+set             atom 39 y 1.90111651799744
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2942   -2.9871562   -2.7527209   -2.7441151 
+    2943   -2.9871562   -2.7527209   -2.7367799 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 39 x ${x0}
+set atom 39 x 9.58521930454847
+  1 settings made for x
+set atom $i y ${y0}
+set atom 39 y ${y0}
+set atom 39 y 1.81828533790177
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 9
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.27178276856155
+variable        y0 equal ${yi}
+variable        y0 equal 0.00600513219834582
+
+set             atom $i x ${xnew}
+set             atom 9 x ${xnew}
+set             atom 9 x 4.26799798090667
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 9 y ${ynew}
+set             atom 9 y 0.0409893155098082
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2943   -2.9871562   -2.7527209   -2.7367799 
+    2944   -2.9871562   -2.7527209   -2.7532874 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.75328735057519
+variable naccept equal ${increment}
+variable naccept equal 484
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 26
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.65179307659102
+variable        y0 equal ${yi}
+variable        y0 equal 2.85066882344583
+
+set             atom $i x ${xnew}
+set             atom 26 x ${xnew}
+set             atom 26 x 2.59091410835219
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 26 y ${ynew}
+set             atom 26 y 2.89956985684732
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2944   -2.9871562   -2.7532874   -2.7532874 
+    2945   -2.9871562   -2.7532874   -2.7290834 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 26 x ${x0}
+set atom 26 x 2.65179307659102
+  1 settings made for x
+set atom $i y ${y0}
+set atom 26 y ${y0}
+set atom 26 y 2.85066882344583
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 40
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1299801353476
+variable        y0 equal ${yi}
+variable        y0 equal 2.75316406461099
+
+set             atom $i x ${xnew}
+set             atom 40 x ${xnew}
+set             atom 40 x 10.0800767544768
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 40 y ${ynew}
+set             atom 40 y 2.7512019273887
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2945   -2.9871562   -2.7532874   -2.7290834 
+    2946   -2.9871562   -2.7532874   -2.7405972 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 40 x ${x0}
+set atom 40 x 10.1299801353476
+  1 settings made for x
+set atom $i y ${y0}
+set atom 40 y ${y0}
+set atom 40 y 2.75316406461099
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 68
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.8275111011613
+variable        y0 equal ${yi}
+variable        y0 equal 6.48541394011011
+
+set             atom $i x ${xnew}
+set             atom 68 x ${xnew}
+set             atom 68 x 3.77694305697566
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 68 y ${ynew}
+set             atom 68 y 6.56693319813242
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2946   -2.9871562   -2.7532874   -2.7405972 
+    2947   -2.9871562   -2.7532874   -2.7333085 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 68 x ${x0}
+set atom 68 x 3.8275111011613
+  1 settings made for x
+set atom $i y ${y0}
+set atom 68 y ${y0}
+set atom 68 y 6.48541394011011
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 42
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.500509889522458
+variable        y0 equal ${yi}
+variable        y0 equal 4.59161240214273
+
+set             atom $i x ${xnew}
+set             atom 42 x ${xnew}
+set             atom 42 x 0.532693059841062
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 42 y ${ynew}
+set             atom 42 y 4.49708325022623
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2947   -2.9871562   -2.7532874   -2.7333085 
+    2948   -2.9871562   -2.7532874   -2.7324211 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 42 x ${x0}
+set atom 42 x 0.500509889522458
+  1 settings made for x
+set atom $i y ${y0}
+set atom 42 y ${y0}
+set atom 42 y 4.59161240214273
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 20
+
+variable        x0 equal ${xi}
+variable        x0 equal 10.1717276934643
+variable        y0 equal ${yi}
+variable        y0 equal 0.945514078843921
+
+set             atom $i x ${xnew}
+set             atom 20 x ${xnew}
+set             atom 20 x 10.1590479616184
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 20 y ${ynew}
+set             atom 20 y 0.990723379361957
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2948   -2.9871562   -2.7532874   -2.7324211 
+    2949   -2.9871562   -2.7532874   -2.7486006 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 20 x ${x0}
+set atom 20 x 10.1717276934643
+  1 settings made for x
+set atom $i y ${y0}
+set atom 20 y ${y0}
+set atom 20 y 0.945514078843921
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 52
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.94641846377841
+variable        y0 equal ${yi}
+variable        y0 equal 4.67712874764368
+
+set             atom $i x ${xnew}
+set             atom 52 x ${xnew}
+set             atom 52 x 6.01490493972293
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 52 y ${ynew}
+set             atom 52 y 4.68249245041773
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2949   -2.9871562   -2.7532874   -2.7486006 
+    2950   -2.9871562   -2.7532874   -2.7433232 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 52 x ${x0}
+set atom 52 x 5.94641846377841
+  1 settings made for x
+set atom $i y ${y0}
+set atom 52 y ${y0}
+set atom 52 y 4.67712874764368
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 78
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.15111655909569
+variable        y0 equal ${yi}
+variable        y0 equal 6.52915453449718
+
+set             atom $i x ${xnew}
+set             atom 78 x ${xnew}
+set             atom 78 x 9.25104720313103
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 78 y ${ynew}
+set             atom 78 y 6.55393446222774
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2950   -2.9871562   -2.7532874   -2.7433232 
+    2951   -2.9871562   -2.7532874   -2.7232783 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 78 x ${x0}
+set atom 78 x 9.15111655909569
+  1 settings made for x
+set atom $i y ${y0}
+set atom 78 y ${y0}
+set atom 78 y 6.52915453449718
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 92
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.87285548408023
+variable        y0 equal ${yi}
+variable        y0 equal 8.36937119878825
+
+set             atom $i x ${xnew}
+set             atom 92 x ${xnew}
+set             atom 92 x 5.78111954886905
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 92 y ${ynew}
+set             atom 92 y 8.35275536693629
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2951   -2.9871562   -2.7532874   -2.7232783 
+    2952   -2.9871562   -2.7532874   -2.7259218 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 92 x ${x0}
+set atom 92 x 5.87285548408023
+  1 settings made for x
+set atom $i y ${y0}
+set atom 92 y ${y0}
+set atom 92 y 8.36937119878825
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 3
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.02897904236965
+variable        y0 equal ${yi}
+variable        y0 equal 9.27259716499179
+
+set             atom $i x ${xnew}
+set             atom 3 x ${xnew}
+set             atom 3 x 0.968074348766135
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 3 y ${ynew}
+set             atom 3 y 9.32795874584048
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2952   -2.9871562   -2.7532874   -2.7259218 
+    2953   -2.9871562   -2.7532874   -2.7397501 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 3 x ${x0}
+set atom 3 x 1.02897904236965
+  1 settings made for x
+set atom $i y ${y0}
+set atom 3 y ${y0}
+set atom 3 y 9.27259716499179
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.35691284020158
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.47275000755984
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2953   -2.9871562   -2.7532874   -2.7397501 
+    2954   -2.9871562   -2.7532874   -2.7433342 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 27
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.2013416862444
+variable        y0 equal ${yi}
+variable        y0 equal 1.98039417645997
+
+set             atom $i x ${xnew}
+set             atom 27 x ${xnew}
+set             atom 27 x 3.28021324634114
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 27 y ${ynew}
+set             atom 27 y 1.96893048665589
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2954   -2.9871562   -2.7532874   -2.7433342 
+    2955   -2.9871562   -2.7532874   -2.7385157 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 27 x ${x0}
+set atom 27 x 3.2013416862444
+  1 settings made for x
+set atom $i y ${y0}
+set atom 27 y ${y0}
+set atom 27 y 1.98039417645997
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 68
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.8275111011613
+variable        y0 equal ${yi}
+variable        y0 equal 6.48541394011011
+
+set             atom $i x ${xnew}
+set             atom 68 x ${xnew}
+set             atom 68 x 3.76331955710536
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 68 y ${ynew}
+set             atom 68 y 6.44811980263224
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2955   -2.9871562   -2.7532874   -2.7385157 
+    2956   -2.9871562   -2.7532874   -2.7411746 
+Loop time of 3.91006e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 68 x ${x0}
+set atom 68 x 3.8275111011613
+  1 settings made for x
+set atom $i y ${y0}
+set atom 68 y ${y0}
+set atom 68 y 6.48541394011011
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 62
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.647362239757444
+variable        y0 equal ${yi}
+variable        y0 equal 6.49172300831308
+
+set             atom $i x ${xnew}
+set             atom 62 x ${xnew}
+set             atom 62 x 0.622266717353727
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 62 y ${ynew}
+set             atom 62 y 6.56202939287653
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2956   -2.9871562   -2.7532874   -2.7411746 
+    2957   -2.9871562   -2.7532874   -2.7500994 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 62 x ${x0}
+set atom 62 x 0.647362239757444
+  1 settings made for x
+set atom $i y ${y0}
+set atom 62 y ${y0}
+set atom 62 y 6.49172300831308
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 57
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.54984512486879
+variable        y0 equal ${yi}
+variable        y0 equal 3.69442252679001
+
+set             atom $i x ${xnew}
+set             atom 57 x ${xnew}
+set             atom 57 x 8.56829549231951
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 57 y ${ynew}
+set             atom 57 y 3.67476536793839
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2957   -2.9871562   -2.7532874   -2.7500994 
+    2958   -2.9871562   -2.7532874   -2.7539438 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.75394382620027
+variable naccept equal ${increment}
+variable naccept equal 485
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 16
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.95025718807079
+variable        y0 equal ${yi}
+variable        y0 equal 0.949378951299518
+
+set             atom $i x ${xnew}
+set             atom 16 x ${xnew}
+set             atom 16 x 8.01037481426098
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 16 y ${ynew}
+set             atom 16 y 0.937795325029224
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2958   -2.9871562   -2.7539438   -2.7539438 
+    2959   -2.9871562   -2.7539438   -2.7424425 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 16 x ${x0}
+set atom 16 x 7.95025718807079
+  1 settings made for x
+set atom $i y ${y0}
+set atom 16 y ${y0}
+set atom 16 y 0.949378951299518
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.13902074734077
+variable        y0 equal ${yi}
+variable        y0 equal 9.29444277990191
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 2.15100954214439
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y 9.2236336778435
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2959   -2.9871562   -2.7539438   -2.7424425 
+    2960   -2.9871562   -2.7539438   -2.7400005 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 5 x ${x0}
+set atom 5 x 2.13902074734077
+  1 settings made for x
+set atom $i y ${y0}
+set atom 5 y ${y0}
+set atom 5 y 9.29444277990191
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 91
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.36143123308087
+variable        y0 equal ${yi}
+variable        y0 equal 7.41034705963397
+
+set             atom $i x ${xnew}
+set             atom 91 x ${xnew}
+set             atom 91 x 5.36507325569058
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 91 y ${ynew}
+set             atom 91 y 7.31913150873446
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2960   -2.9871562   -2.7539438   -2.7400005 
+    2961   -2.9871562   -2.7539438   -2.7391325 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 91 x ${x0}
+set atom 91 x 5.36143123308087
+  1 settings made for x
+set atom $i y ${y0}
+set atom 91 y ${y0}
+set atom 91 y 7.41034705963397
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 44
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59001860499163
+variable        y0 equal ${yi}
+variable        y0 equal 4.68076303357049
+
+set             atom $i x ${xnew}
+set             atom 44 x ${xnew}
+set             atom 44 x 1.63138304829378
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 44 y ${ynew}
+set             atom 44 y 4.6209767853634
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2961   -2.9871562   -2.7539438   -2.7391325 
+    2962   -2.9871562   -2.7539438    -2.753053 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 44 x ${x0}
+set atom 44 x 1.59001860499163
+  1 settings made for x
+set atom $i y ${y0}
+set atom 44 y ${y0}
+set atom 44 y 4.68076303357049
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.88060106316253
+variable        y0 equal ${yi}
+variable        y0 equal 0.960105260122139
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.82137906828567
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 0.934996505487282
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2962   -2.9871562   -2.7539438    -2.753053 
+    2963   -2.9871562   -2.7539438   -2.7402008 
+Loop time of 0.0423932 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 14 x ${x0}
+set atom 14 x 6.88060106316253
+  1 settings made for x
+set atom $i y ${y0}
+set atom 14 y ${y0}
+set atom 14 y 0.960105260122139
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.88060106316253
+variable        y0 equal ${yi}
+variable        y0 equal 0.960105260122139
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.82064826765701
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 0.953040440786202
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2963   -2.9871562   -2.7539438   -2.7402008 
+    2964   -2.9871562   -2.7539438     -2.74123 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 14 x ${x0}
+set atom 14 x 6.88060106316253
+  1 settings made for x
+set atom $i y ${y0}
+set atom 14 y ${y0}
+set atom 14 y 0.960105260122139
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 32
+
+variable        x0 equal ${xi}
+variable        x0 equal 5.92034897763721
+variable        y0 equal ${yi}
+variable        y0 equal 2.80042437287667
+
+set             atom $i x ${xnew}
+set             atom 32 x ${xnew}
+set             atom 32 x 5.84993776042453
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 32 y ${ynew}
+set             atom 32 y 2.87789943190911
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2964   -2.9871562   -2.7539438     -2.74123 
+    2965   -2.9871562   -2.7539438   -2.7109534 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 32 x ${x0}
+set atom 32 x 5.92034897763721
+  1 settings made for x
+set atom $i y ${y0}
+set atom 32 y ${y0}
+set atom 32 y 2.80042437287667
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 28
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.78851652661449
+variable        y0 equal ${yi}
+variable        y0 equal 2.84074224206308
+
+set             atom $i x ${xnew}
+set             atom 28 x ${xnew}
+set             atom 28 x 3.84578108111507
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 28 y ${ynew}
+set             atom 28 y 2.91428672047952
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2965   -2.9871562   -2.7539438   -2.7109534 
+    2966   -2.9871562   -2.7539438   -2.7356723 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 28 x ${x0}
+set atom 28 x 3.78851652661449
+  1 settings made for x
+set atom $i y ${y0}
+set atom 28 y ${y0}
+set atom 28 y 2.84074224206308
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 74
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.04742242375061
+variable        y0 equal ${yi}
+variable        y0 equal 6.46128811375131
+
+set             atom $i x ${xnew}
+set             atom 74 x ${xnew}
+set             atom 74 x 6.96673145571396
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 74 y ${ynew}
+set             atom 74 y 6.3965297056817
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2966   -2.9871562   -2.7539438   -2.7356723 
+    2967   -2.9871562   -2.7539438   -2.7192316 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 74 x ${x0}
+set atom 74 x 7.04742242375061
+  1 settings made for x
+set atom $i y ${y0}
+set atom 74 y ${y0}
+set atom 74 y 6.46128811375131
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 79
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.66362923859236
+variable        y0 equal ${yi}
+variable        y0 equal 5.65359488671022
+
+set             atom $i x ${xnew}
+set             atom 79 x ${xnew}
+set             atom 79 x 9.58907666681883
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 79 y ${ynew}
+set             atom 79 y 5.62402175610262
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2967   -2.9871562   -2.7539438   -2.7192316 
+    2968   -2.9871562   -2.7539438   -2.7442611 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 79 x ${x0}
+set atom 79 x 9.66362923859236
+  1 settings made for x
+set atom $i y ${y0}
+set atom 79 y ${y0}
+set atom 79 y 5.65359488671022
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 75
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.52148601848851
+variable        y0 equal ${yi}
+variable        y0 equal 5.57813051884371
+
+set             atom $i x ${xnew}
+set             atom 75 x ${xnew}
+set             atom 75 x 7.59163548786412
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 75 y ${ynew}
+set             atom 75 y 5.53327572291094
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2968   -2.9871562   -2.7539438   -2.7442611 
+    2969   -2.9871562   -2.7539438   -2.7512734 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 75 x ${x0}
+set atom 75 x 7.52148601848851
+  1 settings made for x
+set atom $i y ${y0}
+set atom 75 y ${y0}
+set atom 75 y 5.57813051884371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 67
+
+variable        x0 equal ${xi}
+variable        x0 equal 3.29802477120916
+variable        y0 equal ${yi}
+variable        y0 equal 5.57190024798112
+
+set             atom $i x ${xnew}
+set             atom 67 x ${xnew}
+set             atom 67 x 3.27479552983801
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 67 y ${ynew}
+set             atom 67 y 5.48164402191835
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2969   -2.9871562   -2.7539438   -2.7512734 
+    2970   -2.9871562   -2.7539438   -2.7289203 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 67 x ${x0}
+set atom 67 x 3.29802477120916
+  1 settings made for x
+set atom $i y ${y0}
+set atom 67 y ${y0}
+set atom 67 y 5.57190024798112
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.47742998122294
+variable        y0 equal ${yi}
+variable        y0 equal 3.76617543263566
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.53793140172083
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.79768858714234
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2970   -2.9871562   -2.7539438   -2.7289203 
+    2971   -2.9871562   -2.7539438   -2.7361349 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 53 x ${x0}
+set atom 53 x 6.47742998122294
+  1 settings made for x
+set atom $i y ${y0}
+set atom 53 y ${y0}
+set atom 53 y 3.76617543263566
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 42
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.500509889522458
+variable        y0 equal ${yi}
+variable        y0 equal 4.59161240214273
+
+set             atom $i x ${xnew}
+set             atom 42 x ${xnew}
+set             atom 42 x 0.469954164424802
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 42 y ${ynew}
+set             atom 42 y 4.53737027996942
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2971   -2.9871562   -2.7539438   -2.7361349 
+    2972   -2.9871562   -2.7539438   -2.7431142 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 42 x ${x0}
+set atom 42 x 0.500509889522458
+  1 settings made for x
+set atom $i y ${y0}
+set atom 42 y ${y0}
+set atom 42 y 4.59161240214273
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 36
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.06178798078395
+variable        y0 equal ${yi}
+variable        y0 equal 2.74185490580896
+
+set             atom $i x ${xnew}
+set             atom 36 x ${xnew}
+set             atom 36 x 8.10974392293788
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 36 y ${ynew}
+set             atom 36 y 2.8185374734054
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2972   -2.9871562   -2.7539438   -2.7431142 
+    2973   -2.9871562   -2.7539438   -2.7329769 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 36 x ${x0}
+set atom 36 x 8.06178798078395
+  1 settings made for x
+set atom $i y ${y0}
+set atom 36 y ${y0}
+set atom 36 y 2.74185490580896
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 85
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.18122052589761
+variable        y0 equal ${yi}
+variable        y0 equal 7.43532284822726
+
+set             atom $i x ${xnew}
+set             atom 85 x ${xnew}
+set             atom 85 x 2.11909139791833
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 85 y ${ynew}
+set             atom 85 y 7.41292558040881
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2973   -2.9871562   -2.7539438   -2.7329769 
+    2974   -2.9871562   -2.7539438   -2.7424018 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 85 x ${x0}
+set atom 85 x 2.18122052589761
+  1 settings made for x
+set atom $i y ${y0}
+set atom 85 y ${y0}
+set atom 85 y 7.43532284822726
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 17
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.56200896659319
+variable        y0 equal ${yi}
+variable        y0 equal 9.2929022978577
+
+set             atom $i x ${xnew}
+set             atom 17 x ${xnew}
+set             atom 17 x 8.49557646670763
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 17 y ${ynew}
+set             atom 17 y 9.22478402364582
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2974   -2.9871562   -2.7539438   -2.7424018 
+    2975   -2.9871562   -2.7539438   -2.7431917 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 17 x ${x0}
+set atom 17 x 8.56200896659319
+  1 settings made for x
+set atom $i y ${y0}
+set atom 17 y ${y0}
+set atom 17 y 9.2929022978577
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 75
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.52148601848851
+variable        y0 equal ${yi}
+variable        y0 equal 5.57813051884371
+
+set             atom $i x ${xnew}
+set             atom 75 x ${xnew}
+set             atom 75 x 7.46393394310246
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 75 y ${ynew}
+set             atom 75 y 5.49718704168993
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2975   -2.9871562   -2.7539438   -2.7431917 
+    2976   -2.9871562   -2.7539438   -2.7220106 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 75 x ${x0}
+set atom 75 x 7.52148601848851
+  1 settings made for x
+set atom $i y ${y0}
+set atom 75 y ${y0}
+set atom 75 y 5.57813051884371
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 53
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.47742998122294
+variable        y0 equal ${yi}
+variable        y0 equal 3.76617543263566
+
+set             atom $i x ${xnew}
+set             atom 53 x ${xnew}
+set             atom 53 x 6.44860480546076
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 53 y ${ynew}
+set             atom 53 y 3.7287059978975
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2976   -2.9871562   -2.7539438   -2.7220106 
+    2977   -2.9871562   -2.7539438     -2.75362 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.75362003368566
+variable naccept equal ${increment}
+variable naccept equal 486
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.29407903034898
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.47957183067996
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2977   -2.9871562     -2.75362     -2.75362 
+    2978   -2.9871562     -2.75362   -2.7305275 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 24
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.59829139590045
+variable        y0 equal ${yi}
+variable        y0 equal 2.77385951253275
+
+set             atom $i x ${xnew}
+set             atom 24 x ${xnew}
+set             atom 24 x 1.65979388832828
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 24 y ${ynew}
+set             atom 24 y 2.72343895408014
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2978   -2.9871562     -2.75362   -2.7305275 
+    2979   -2.9871562     -2.75362   -2.7393582 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 24 x ${x0}
+set atom 24 x 1.59829139590045
+  1 settings made for x
+set atom $i y ${y0}
+set atom 24 y ${y0}
+set atom 24 y 2.77385951253275
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 63
+
+variable        x0 equal ${xi}
+variable        x0 equal 1.09178573210888
+variable        y0 equal ${yi}
+variable        y0 equal 5.57776011173921
+
+set             atom $i x ${xnew}
+set             atom 63 x ${xnew}
+set             atom 63 x 1.06548571904354
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 63 y ${ynew}
+set             atom 63 y 5.66596307699876
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2979   -2.9871562     -2.75362   -2.7393582 
+    2980   -2.9871562     -2.75362   -2.7117182 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 63 x ${x0}
+set atom 63 x 1.09178573210888
+  1 settings made for x
+set atom $i y ${y0}
+set atom 63 y ${y0}
+set atom 63 y 5.57776011173921
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 18
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.98599239308387
+variable        y0 equal ${yi}
+variable        y0 equal 0.925951715219346
+
+set             atom $i x ${xnew}
+set             atom 18 x ${xnew}
+set             atom 18 x 9.01515912730247
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 18 y ${ynew}
+set             atom 18 y 0.887745292890397
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2980   -2.9871562     -2.75362   -2.7117182 
+    2981   -2.9871562     -2.75362   -2.7510569 
+Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 18 x ${x0}
+set atom 18 x 8.98599239308387
+  1 settings made for x
+set atom $i y ${y0}
+set atom 18 y ${y0}
+set atom 18 y 0.925951715219346
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 36
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.06178798078395
+variable        y0 equal ${yi}
+variable        y0 equal 2.74185490580896
+
+set             atom $i x ${xnew}
+set             atom 36 x ${xnew}
+set             atom 36 x 8.13581071494914
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 36 y ${ynew}
+set             atom 36 y 2.76795037957529
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2981   -2.9871562     -2.75362   -2.7510569 
+    2982   -2.9871562     -2.75362   -2.7268467 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 36 x ${x0}
+set atom 36 x 8.06178798078395
+  1 settings made for x
+set atom $i y ${y0}
+set atom 36 y ${y0}
+set atom 36 y 2.74185490580896
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 49
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.37311956961365
+variable        y0 equal ${yi}
+variable        y0 equal 3.73546738190782
+
+set             atom $i x ${xnew}
+set             atom 49 x ${xnew}
+set             atom 49 x 4.39594184239121
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 49 y ${ynew}
+set             atom 49 y 3.77885702414644
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2982   -2.9871562     -2.75362   -2.7268467 
+    2983   -2.9871562     -2.75362   -2.7410922 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 49 x ${x0}
+set atom 49 x 4.37311956961365
+  1 settings made for x
+set atom $i y ${y0}
+set atom 49 y ${y0}
+set atom 49 y 3.73546738190782
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 79
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.66362923859236
+variable        y0 equal ${yi}
+variable        y0 equal 5.65359488671022
+
+set             atom $i x ${xnew}
+set             atom 79 x ${xnew}
+set             atom 79 x 9.71431942461607
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 79 y ${ynew}
+set             atom 79 y 5.60496181194978
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2983   -2.9871562     -2.75362   -2.7410922 
+    2984   -2.9871562     -2.75362   -2.7550702 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.7550701509038
+variable naccept equal ${increment}
+variable naccept equal 487
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 42
+
+variable        x0 equal ${xi}
+variable        x0 equal 0.500509889522458
+variable        y0 equal ${yi}
+variable        y0 equal 4.59161240214273
+
+set             atom $i x ${xnew}
+set             atom 42 x ${xnew}
+set             atom 42 x 0.546475799480344
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 42 y ${ynew}
+set             atom 42 y 4.62186012619897
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2984   -2.9871562   -2.7550702   -2.7550702 
+    2985   -2.9871562   -2.7550702   -2.7556181 
+Loop time of 3.88622e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+variable elast equal $e
+variable elast equal -2.75561814014617
+variable naccept equal ${increment}
+variable naccept equal 488
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.82160441517171
+variable        y0 equal ${yi}
+variable        y0 equal 8.38617150701579
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.90591750978765
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.4184711090475
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2985   -2.9871562   -2.7556181   -2.7556181 
+    2986   -2.9871562   -2.7556181    -2.727834 
+Loop time of 6.50883e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 90 x ${x0}
+set atom 90 x 4.82160441517171
+  1 settings made for x
+set atom $i y ${y0}
+set atom 90 y ${y0}
+set atom 90 y 8.38617150701579
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 14
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.88060106316253
+variable        y0 equal ${yi}
+variable        y0 equal 0.960105260122139
+
+set             atom $i x ${xnew}
+set             atom 14 x ${xnew}
+set             atom 14 x 6.97161685505553
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 14 y ${ynew}
+set             atom 14 y 1.03950984071525
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2986   -2.9871562   -2.7556181    -2.727834 
+    2987   -2.9871562   -2.7556181   -2.7067347 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 14 x ${x0}
+set atom 14 x 6.88060106316253
+  1 settings made for x
+set atom $i y ${y0}
+set atom 14 y ${y0}
+set atom 14 y 0.960105260122139
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 79
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.71431942461607
+variable        y0 equal ${yi}
+variable        y0 equal 5.60496181194978
+
+set             atom $i x ${xnew}
+set             atom 79 x ${xnew}
+set             atom 79 x 9.80766351698515
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 79 y ${ynew}
+set             atom 79 y 5.58589920942979
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2987   -2.9871562   -2.7556181   -2.7067347 
+    2988   -2.9871562   -2.7556181   -2.7044395 
+Loop time of 8.01086e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 79 x ${x0}
+set atom 79 x 9.71431942461607
+  1 settings made for x
+set atom $i y ${y0}
+set atom 79 y ${y0}
+set atom 79 y 5.60496181194978
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 5
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.13902074734077
+variable        y0 equal ${yi}
+variable        y0 equal 9.29444277990191
+
+set             atom $i x ${xnew}
+set             atom 5 x ${xnew}
+set             atom 5 x 2.07677179018363
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 5 y ${ynew}
+set             atom 5 y 9.33462863672106
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2988   -2.9871562   -2.7556181   -2.7044395 
+    2989   -2.9871562   -2.7556181    -2.749715 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 5 x ${x0}
+set atom 5 x 2.13902074734077
+  1 settings made for x
+set atom $i y ${y0}
+set atom 5 y ${y0}
+set atom 5 y 9.29444277990191
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.00678724327727
+variable        y0 equal ${yi}
+variable        y0 equal 4.66030267828866
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 6.92047409096404
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.59831593388482
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2989   -2.9871562   -2.7556181    -2.749715 
+    2990   -2.9871562   -2.7556181   -2.7307015 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.00678724327727
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.66030267828866
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 78
+
+variable        x0 equal ${xi}
+variable        x0 equal 9.15111655909569
+variable        y0 equal ${yi}
+variable        y0 equal 6.52915453449718
+
+set             atom $i x ${xnew}
+set             atom 78 x ${xnew}
+set             atom 78 x 9.161557504721
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 78 y ${ynew}
+set             atom 78 y 6.58640019432537
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2990   -2.9871562   -2.7556181   -2.7307015 
+    2991   -2.9871562   -2.7556181   -2.7277542 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 78 x ${x0}
+set atom 78 x 9.15111655909569
+  1 settings made for x
+set atom $i y ${y0}
+set atom 78 y ${y0}
+set atom 78 y 6.52915453449718
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 17
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.56200896659319
+variable        y0 equal ${yi}
+variable        y0 equal 9.2929022978577
+
+set             atom $i x ${xnew}
+set             atom 17 x ${xnew}
+set             atom 17 x 8.5818393246216
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 17 y ${ynew}
+set             atom 17 y 9.20365908849567
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2991   -2.9871562   -2.7556181   -2.7277542 
+    2992   -2.9871562   -2.7556181   -2.7369239 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 17 x ${x0}
+set atom 17 x 8.56200896659319
+  1 settings made for x
+set atom $i y ${y0}
+set atom 17 y ${y0}
+set atom 17 y 9.2929022978577
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 89
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.32252682526322
+variable        y0 equal ${yi}
+variable        y0 equal 7.38917808857226
+
+set             atom $i x ${xnew}
+set             atom 89 x ${xnew}
+set             atom 89 x 4.23455171663972
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 89 y ${ynew}
+set             atom 89 y 7.31205942955279
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2992   -2.9871562   -2.7556181   -2.7369239 
+    2993   -2.9871562   -2.7556181   -2.6945056 
+Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 89 x ${x0}
+set atom 89 x 4.32252682526322
+  1 settings made for x
+set atom $i y ${y0}
+set atom 89 y ${y0}
+set atom 89 y 7.38917808857226
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 54
+
+variable        x0 equal ${xi}
+variable        x0 equal 7.00678724327727
+variable        y0 equal ${yi}
+variable        y0 equal 4.66030267828866
+
+set             atom $i x ${xnew}
+set             atom 54 x ${xnew}
+set             atom 54 x 6.94060414114638
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 54 y ${ynew}
+set             atom 54 y 4.6537990009205
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2993   -2.9871562   -2.7556181   -2.6945056 
+    2994   -2.9871562   -2.7556181   -2.7427968 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 54 x ${x0}
+set atom 54 x 7.00678724327727
+  1 settings made for x
+set atom $i y ${y0}
+set atom 54 y ${y0}
+set atom 54 y 4.66030267828866
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 69
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.3687668450615
+variable        y0 equal ${yi}
+variable        y0 equal 5.52732812111575
+
+set             atom $i x ${xnew}
+set             atom 69 x ${xnew}
+set             atom 69 x 4.37359725315781
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 69 y ${ynew}
+set             atom 69 y 5.62364107315738
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2994   -2.9871562   -2.7556181   -2.7427968 
+    2995   -2.9871562   -2.7556181   -2.7389461 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 69 x ${x0}
+set atom 69 x 4.3687668450615
+  1 settings made for x
+set atom $i y ${y0}
+set atom 69 y ${y0}
+set atom 69 y 5.52732812111575
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 96
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.0514173328767
+variable        y0 equal ${yi}
+variable        y0 equal 8.32951669611032
+
+set             atom $i x ${xnew}
+set             atom 96 x ${xnew}
+set             atom 96 x 8.01479386686184
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 96 y ${ynew}
+set             atom 96 y 8.31813226856286
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2995   -2.9871562   -2.7556181   -2.7389461 
+    2996   -2.9871562   -2.7556181   -2.7502675 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 96 x ${x0}
+set atom 96 x 8.0514173328767
+  1 settings made for x
+set atom $i y ${y0}
+set atom 96 y ${y0}
+set atom 96 y 8.32951669611032
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 90
+
+variable        x0 equal ${xi}
+variable        x0 equal 4.82160441517171
+variable        y0 equal ${yi}
+variable        y0 equal 8.38617150701579
+
+set             atom $i x ${xnew}
+set             atom 90 x ${xnew}
+set             atom 90 x 4.81215400337514
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 90 y ${ynew}
+set             atom 90 y 8.32506048597392
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2996   -2.9871562   -2.7556181   -2.7502675 
+    2997   -2.9871562   -2.7556181   -2.7546772 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 90 x ${x0}
+set atom 90 x 4.82160441517171
+  1 settings made for x
+set atom $i y ${y0}
+set atom 90 y ${y0}
+set atom 90 y 8.38617150701579
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 66
+
+variable        x0 equal ${xi}
+variable        x0 equal 2.75945490796997
+variable        y0 equal ${yi}
+variable        y0 equal 6.47566335932247
+
+set             atom $i x ${xnew}
+set             atom 66 x ${xnew}
+set             atom 66 x 2.74685431917145
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 66 y ${ynew}
+set             atom 66 y 6.4391868664407
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2997   -2.9871562   -2.7556181   -2.7546772 
+    2998   -2.9871562   -2.7556181    -2.752076 
+Loop time of 3.29018e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 66 x ${x0}
+set atom 66 x 2.75945490796997
+  1 settings made for x
+set atom $i y ${y0}
+set atom 66 y ${y0}
+set atom 66 y 6.47566335932247
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 33
+
+variable        x0 equal ${xi}
+variable        x0 equal 6.35099447487909
+variable        y0 equal ${yi}
+variable        y0 equal 1.92307773015564
+
+set             atom $i x ${xnew}
+set             atom 33 x ${xnew}
+set             atom 33 x 6.35649427889902
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 33 y ${ynew}
+set             atom 33 y 2.00491696975296
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2998   -2.9871562   -2.7556181    -2.752076 
+    2999   -2.9871562   -2.7556181   -2.7020375 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 33 x ${x0}
+set atom 33 x 6.35099447487909
+  1 settings made for x
+set atom $i y ${y0}
+set atom 33 y ${y0}
+set atom 33 y 1.92307773015564
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+variable        i equal ${irandom}
+variable        i equal 97
+
+variable        x0 equal ${xi}
+variable        x0 equal 8.63672733464663
+variable        y0 equal ${yi}
+variable        y0 equal 7.39708643284107
+
+set             atom $i x ${xnew}
+set             atom 97 x ${xnew}
+set             atom 97 x 8.68326119342272
+  1 settings made for x
+set             atom $i y ${ynew}
+set             atom 97 y ${ynew}
+set             atom 97 y 7.36925632086063
+  1 settings made for y
+
+run             1 pre no post no
+Step emin elast PotEng 
+    2999   -2.9871562   -2.7556181   -2.7020375 
+    3000   -2.9871562   -2.7556181   -2.7365286 
+Loop time of 3.31402e-05 on 1 procs for 1 steps with 100 atoms
+
+if              "$e <= ${elast}" then                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 elif "${rn} <= ${boltzfactor}"                   "variable elast equal $e"                   "variable naccept equal ${increment}"                 else                   "set atom $i x ${x0}"                   "set atom $i y ${y0}"
+set atom $i x ${x0}
+set atom 97 x ${x0}
+set atom 97 x 8.63672733464663
+  1 settings made for x
+set atom $i y ${y0}
+set atom 97 y ${y0}
+set atom 97 y 7.39708643284107
+  1 settings made for y
+
+next            iter
+jump            SELF loop
+
+# final energy and stats
+
+variable       nb equal nbuild
+variable       nbuild equal ${nb}
+variable       nbuild equal 41
+
+run             0
+WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
+Memory usage per processor = 2.35582 Mbytes
+Step emin elast PotEng 
+    3000   -2.9871562   -2.7556181   -2.7556181 
+Loop time of 1.19209e-06 on 1 procs for 0 steps with 100 atoms
+
+Pair  time (%) = 0 (0)
+Neigh time (%) = 0 (0)
+Comm  time (%) = 0 (0)
+Outpt time (%) = 0 (0)
+Other time (%) = 1.19209e-06 (100)
+
+Nlocal:    100 ave 100 max 100 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    147 ave 147 max 147 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    1028 ave 1028 max 1028 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 1028
+Ave neighs/atom = 10.28
+Neighbor list builds = 0
+Dangerous builds = 0
+
+print           "MC stats:"
+MC stats:
+print           "  starting energy = ${estart}"
+  starting energy = 19.8754304552668
+print           "  final energy = $e"
+  final energy = -2.75561814014616
+print           "  minimum energy of perfect lattice = ${emin}"
+  minimum energy of perfect lattice = -2.98715616447945
+print           "  accepted MC moves = ${naccept}"
+  accepted MC moves = 488
+print           "  neighbor list rebuilds = ${nbuild}"
+  neighbor list rebuilds = 41
diff --git a/examples/README b/examples/README
index fb039c5b65..94b5706b59 100644
--- a/examples/README
+++ b/examples/README
@@ -132,12 +132,19 @@ The ELASTIC directory has an example script for computing elastic
 constants, using a zero temperature Si example.  See the
 ELASTIC/in.elastic file for more info.
 
-The KAPPA directory has an example scripts for computing the thermal
+The KAPPA directory has example scripts for computing the thermal
 conductivity (kappa) of a LJ liquid using 4 different methods.  See
 the KAPPA/README file for more info.
 
+The MC directory has an example script for using LAMMPS as an
+energy-evaluation engine in a iterative Monte Carlo energy-relaxation
+loop.
+
 The USER directory contains subdirectories of user-provided example
 scripts for ser packages.  See the README files in those directories
 for more info.  See the doc/Section_start.html file for more info
 about installing and building user packages.
 
+The VISCOSITY directory has example scripts for computing the
+viscosity of a LJ liquid using 4 different methods.  See the
+VISCOSITY/README file for more info.

From 6123f2420033867697d2c0de58a462945ad9ab7a Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Fri, 6 Jun 2014 23:41:04 +0000
Subject: [PATCH 26/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12096
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 examples/MC/in.mc | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/examples/MC/in.mc b/examples/MC/in.mc
index aba2eb86f0..0ac33f26c6 100644
--- a/examples/MC/in.mc
+++ b/examples/MC/in.mc
@@ -34,7 +34,8 @@ neigh_modify	delay 0 every 1 check yes
 
 variable        e equal pe
 
-# run 0 to get minimum energy of system
+# run 0 to get energy of perfect lattice
+# emin = minimum energy
 
 run             0
 variable        emin equal $e

From d5a534235500585438b32f4020cede72ff7a55ac Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Fri, 6 Jun 2014 23:41:42 +0000
Subject: [PATCH 27/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12097
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 python/README | 1 +
 1 file changed, 1 insertion(+)

diff --git a/python/README b/python/README
index 0376fd69ec..955909f3f5 100644
--- a/python/README
+++ b/python/README
@@ -35,6 +35,7 @@ scripts in the examples sub-directory:
 trivial.py          read/run a LAMMPS input script thru Python
 demo.py	  	    invoke various LAMMPS library interface routines
 simple.py	    mimic operation of couple/simple/simple.cpp in Python
+mc.py               Monte Carlo energy relaxation wrapper on LAMMPS
 gui.py		    GUI go/stop/temperature-slider to control LAMMPS
 plot.py		    real-time temeperature plot with GnuPlot via Pizza.py
 viz_tool.py	    real-time viz via some viz package

From 87d0ff963b494937323e0cde56aaebb9877e2661 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Fri, 6 Jun 2014 23:44:49 +0000
Subject: [PATCH 28/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12098
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 python/examples/in.mc |  22 +++++++++
 python/examples/mc.py | 108 ++++++++++++++++++++++++++++++++++++++++++
 2 files changed, 130 insertions(+)
 create mode 100644 python/examples/in.mc
 create mode 100755 python/examples/mc.py

diff --git a/python/examples/in.mc b/python/examples/in.mc
new file mode 100644
index 0000000000..01d4a7f81f
--- /dev/null
+++ b/python/examples/in.mc
@@ -0,0 +1,22 @@
+# problem setup for Monte Carlo relaxation of perturbed 2d hex lattice
+# same as example/MC/in.mc
+
+units		lj
+atom_style	atomic
+atom_modify     map array sort 0 0.0
+
+dimension       2
+
+lattice		hex 1.0
+region		box block 0 10 0 5 -0.5 0.5
+
+create_box	1 box
+create_atoms	1 box
+mass		1 1.0
+
+pair_style	lj/cut 2.5
+pair_coeff	1 1 1.0 1.0 2.5
+pair_modify     shift yes
+
+neighbor	0.3 bin
+neigh_modify	delay 0 every 1 check yes
diff --git a/python/examples/mc.py b/python/examples/mc.py
new file mode 100755
index 0000000000..8e556f3c52
--- /dev/null
+++ b/python/examples/mc.py
@@ -0,0 +1,108 @@
+#!/usr/bin/env python -i
+# preceeding line should have path for Python on your machine
+
+# mc.py
+# Purpose: mimic operation of example/MC/in.mc via Python
+# Syntax:  mc.py in.mc
+#          in.mc = LAMMPS input script
+
+import sys,random,math
+
+# set these parameters
+# make sure neigh skin (in in.mc) > 2*deltamove
+
+nloop = 3000
+deltaperturb = 0.2
+deltamove = 0.1
+kT = 0.05
+random.seed(27848)
+
+# parse command line
+
+argv = sys.argv
+if len(argv) != 2:
+  print "Syntax: mc.py in.mc"
+  sys.exit()
+
+infile = sys.argv[1]
+
+from lammps import lammps
+lmp = lammps()
+
+# run infile one line at a time
+# just sets up MC problem
+
+lines = open(infile,'r').readlines()
+for line in lines: lmp.command(line)
+lmp.command("variable e equal pe")
+
+# run 0 to get energy of perfect lattice
+# emin = minimum energy
+
+lmp.command("run 0")
+
+natoms = lmp.extract_global("natoms",0)
+emin = lmp.extract_compute("thermo_pe",0,0) / natoms
+lmp.command("variable emin equal $e")
+
+# disorder the system
+# estart = initial energy
+
+x = lmp.extract_atom("x",3)
+
+for i in xrange(natoms):
+  x[i][0] += deltaperturb * (2*random.random()-1)
+  x[i][1] += deltaperturb * (2*random.random()-1)
+
+lmp.command("variable elast equal $e")
+lmp.command("thermo_style custom step v_emin v_elast pe")
+lmp.command("run 0")
+x = lmp.extract_atom("x",3)
+lmp.command("variable elast equal $e")
+  
+estart = lmp.extract_compute("thermo_pe",0,0) / natoms
+
+# loop over Monte Carlo moves
+# extract x after every run, in case reneighboring changed ptr in LAMMPS
+
+elast = estart
+naccept = 0
+
+for i in xrange(nloop):
+  iatom = random.randrange(0,natoms)
+  x0 = x[iatom][0]
+  y0 = x[iatom][1]
+
+  x[iatom][0] += deltamove * (2*random.random()-1)
+  x[iatom][1] += deltamove * (2*random.random()-1)
+
+  lmp.command("run 1 pre no post no")
+  x = lmp.extract_atom("x",3)
+  e = lmp.extract_compute("thermo_pe",0,0) / natoms
+
+  if e <= elast:
+    elast = e
+    lmp.command("variable elast equal $e")
+    naccept += 1
+  elif random.random() <= math.exp(natoms*(elast-e)/kT):
+    elast = e
+    lmp.command("variable elast equal $e")
+    naccept += 1
+  else:
+    x[iatom][0] = x0
+    x[iatom][1] = y0
+    
+# final energy and stats
+
+lmp.command("variable nbuild equal nbuild")
+nbuild = lmp.extract_variable("nbuild",None,0)
+
+lmp.command("run 0")
+estop = lmp.extract_compute("thermo_pe",0,0) / natoms
+
+print "MC stats:"
+print "  starting energy =",estart
+print "  final energy =",estop
+print "  minimum energy of perfect lattice =",emin
+print "  accepted MC moves =",naccept
+print "  neighbor list rebuilds =",nbuild

From 2f48597773baacc88fb74fd1a43a942a15891826 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Fri, 6 Jun 2014 23:49:18 +0000
Subject: [PATCH 29/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12099
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 doc/thermo_style.html | 17 ++++++++++++++++-
 doc/thermo_style.txt  | 17 ++++++++++++++++-
 2 files changed, 32 insertions(+), 2 deletions(-)

diff --git a/doc/thermo_style.html b/doc/thermo_style.html
index beaa64e33f..593ba371f8 100644
--- a/doc/thermo_style.html
+++ b/doc/thermo_style.html
@@ -31,7 +31,7 @@
 		        xy, xz, yz, xlat, ylat, zlat,
                         bonds, angles, dihedrals, impropers,
 		        pxx, pyy, pzz, pxy, pxz, pyz,
-			fmax, fnorm,
+			fmax, fnorm, nbuild, ndanger,
 			cella, cellb, cellc, cellalpha, cellbeta, cellgamma,
 			c_ID, c_ID[I], c_ID[I][J],
                         f_ID, f_ID[I], f_ID[I][J],
@@ -73,6 +73,8 @@
       pxx,pyy,pzz,pxy,pxz,pyz = 6 components of pressure tensor
       fmax = max component of force on any atom in any dimension
       fnorm = length of force vector for all atoms
+      nbuild = # of neighbor list builds
+      ndanger = # of dangerous neighbor list builds
       cella,cellb,cellc = periodic cell lattice constants a,b,c 
       cellalpha, cellbeta, cellgamma = periodic cell angles alpha,beta,gamma
       c_ID = global scalar value calculated by a compute with ID
@@ -265,6 +267,19 @@ calculates the maximum force in any dimension on any atom in the
 system, or the infinity-norm of the force vector for the system.  The
 <I>fnorm</I> keyword calculates the 2-norm or length of the force vector.
 </P>
+<P>The <I>nbuild</I> and <I>ndanger</I> keywords are useful for monitoring neighbor
+list builds during a run.  Note that both these values are also
+printed with the end-of-run statistics.  The <I>nbuild</I> keyword is the
+number of re-builds during the current run.  The <I>ndanger</I> keyword is
+the number of re-builds that LAMMPS considered potentially
+"dangerous".  If atom movement triggered neighbor list rebuilding (see
+the <A HREF = "neigh_modify.html">neigh_modify</A> command), then dangerous
+reneighborings are those that were triggered on the first timestep
+atom movement was checked for.  If this count is non-zero you may wish
+to reduce the delay factor to insure no force interactions are missed
+by atoms moving beyond the neighbor skin distance before a rebuild
+takes place.
+</P>
 <P>The keywords <I>cella</I>, <I>cellb</I>, <I>cellc</I>, <I>cellalpha</I>, <I>cellbeta</I>,
 <I>cellgamma</I>, correspond to the usual crystallographic quantities that
 define the periodic unit cell of a crystal.  See <A HREF = "Section_howto.html#howto_12">this
diff --git a/doc/thermo_style.txt b/doc/thermo_style.txt
index 633c46309e..241cfb0eb5 100644
--- a/doc/thermo_style.txt
+++ b/doc/thermo_style.txt
@@ -26,7 +26,7 @@ args = list of arguments for a particular style :l
 		        xy, xz, yz, xlat, ylat, zlat,
                         bonds, angles, dihedrals, impropers,
 		        pxx, pyy, pzz, pxy, pxz, pyz,
-			fmax, fnorm,
+			fmax, fnorm, nbuild, ndanger,
 			cella, cellb, cellc, cellalpha, cellbeta, cellgamma,
 			c_ID, c_ID\[I\], c_ID\[I\]\[J\],
                         f_ID, f_ID\[I\], f_ID\[I\]\[J\],
@@ -68,6 +68,8 @@ args = list of arguments for a particular style :l
       pxx,pyy,pzz,pxy,pxz,pyz = 6 components of pressure tensor
       fmax = max component of force on any atom in any dimension
       fnorm = length of force vector for all atoms
+      nbuild = # of neighbor list builds
+      ndanger = # of dangerous neighbor list builds
       cella,cellb,cellc = periodic cell lattice constants a,b,c 
       cellalpha, cellbeta, cellgamma = periodic cell angles alpha,beta,gamma
       c_ID = global scalar value calculated by a compute with ID
@@ -259,6 +261,19 @@ calculates the maximum force in any dimension on any atom in the
 system, or the infinity-norm of the force vector for the system.  The
 {fnorm} keyword calculates the 2-norm or length of the force vector.
 
+The {nbuild} and {ndanger} keywords are useful for monitoring neighbor
+list builds during a run.  Note that both these values are also
+printed with the end-of-run statistics.  The {nbuild} keyword is the
+number of re-builds during the current run.  The {ndanger} keyword is
+the number of re-builds that LAMMPS considered potentially
+"dangerous".  If atom movement triggered neighbor list rebuilding (see
+the "neigh_modify"_neigh_modify.html command), then dangerous
+reneighborings are those that were triggered on the first timestep
+atom movement was checked for.  If this count is non-zero you may wish
+to reduce the delay factor to insure no force interactions are missed
+by atoms moving beyond the neighbor skin distance before a rebuild
+takes place.
+
 The keywords {cella}, {cellb}, {cellc}, {cellalpha}, {cellbeta},
 {cellgamma}, correspond to the usual crystallographic quantities that
 define the periodic unit cell of a crystal.  See "this

From dd47fb6414a725c75e104560a99a6368839da7d5 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Fri, 6 Jun 2014 23:49:42 +0000
Subject: [PATCH 30/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12100
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/Makefile.shlib | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/Makefile.shlib b/src/Makefile.shlib
index 9c9d1b9037..c7dac094ba 100644
--- a/src/Makefile.shlib
+++ b/src/Makefile.shlib
@@ -7,9 +7,9 @@ SHELL = /bin/sh
 ROOT =	lammps
 EXE =	lib$(ROOT)_$@.so
 
-SRC =	angle.cpp angle_charmm.cpp angle_class2.cpp angle_cosine.cpp angle_cosine_delta.cpp angle_cosine_periodic.cpp angle_cosine_squared.cpp angle_harmonic.cpp angle_hybrid.cpp angle_table.cpp atom.cpp atom_map.cpp atom_vec.cpp atom_vec_angle.cpp atom_vec_atomic.cpp atom_vec_body.cpp atom_vec_bond.cpp atom_vec_charge.cpp atom_vec_dipole.cpp atom_vec_ellipsoid.cpp atom_vec_full.cpp atom_vec_hybrid.cpp atom_vec_line.cpp atom_vec_molecular.cpp atom_vec_peri.cpp atom_vec_sphere.cpp atom_vec_tri.cpp balance.cpp body.cpp body_nparticle.cpp bond.cpp bond_class2.cpp bond_fene.cpp bond_fene_expand.cpp bond_harmonic.cpp bond_hybrid.cpp bond_morse.cpp bond_nonlinear.cpp bond_quartic.cpp bond_table.cpp change_box.cpp citeme.cpp comm.cpp compute.cpp compute_angle_local.cpp compute_atom_molecule.cpp compute_body_local.cpp compute_bond_local.cpp compute_centro_atom.cpp compute_cluster_atom.cpp compute_cna_atom.cpp compute_com.cpp compute_com_molecule.cpp compute_contact_atom.cpp compute_coord_atom.cpp compute_damage_atom.cpp compute_dihedral_local.cpp compute_displace_atom.cpp compute_erotate_asphere.cpp compute_erotate_rigid.cpp compute_erotate_sphere.cpp compute_erotate_sphere_atom.cpp compute_event_displace.cpp compute_group_group.cpp compute_gyration.cpp compute_gyration_molecule.cpp compute_heat_flux.cpp compute_improper_local.cpp compute_inertia_molecule.cpp compute_ke.cpp compute_ke_atom.cpp compute_ke_rigid.cpp compute_msd.cpp compute_msd_molecule.cpp compute_msd_nongauss.cpp compute_pair.cpp compute_pair_local.cpp compute_pe.cpp compute_pe_atom.cpp compute_pressure.cpp compute_property_atom.cpp compute_property_local.cpp compute_property_molecule.cpp compute_rdf.cpp compute_reduce.cpp compute_reduce_region.cpp compute_slice.cpp compute_stress_atom.cpp compute_temp.cpp compute_temp_asphere.cpp compute_temp_com.cpp compute_temp_deform.cpp compute_temp_partial.cpp compute_temp_profile.cpp compute_temp_ramp.cpp compute_temp_region.cpp compute_temp_sphere.cpp compute_ti.cpp compute_vacf.cpp create_atoms.cpp create_box.cpp delete_atoms.cpp delete_bonds.cpp dihedral.cpp dihedral_charmm.cpp dihedral_class2.cpp dihedral_harmonic.cpp dihedral_helix.cpp dihedral_hybrid.cpp dihedral_multi_harmonic.cpp dihedral_opls.cpp displace_atoms.cpp domain.cpp dump.cpp dump_atom.cpp dump_cfg.cpp dump_custom.cpp dump_dcd.cpp dump_image.cpp dump_local.cpp dump_movie.cpp dump_xtc.cpp dump_xyz.cpp error.cpp finish.cpp fix.cpp fix_adapt.cpp fix_addforce.cpp fix_append_atoms.cpp fix_ave_atom.cpp fix_ave_correlate.cpp fix_ave_histo.cpp fix_ave_spatial.cpp fix_ave_time.cpp fix_aveforce.cpp fix_balance.cpp fix_bond_break.cpp fix_bond_create.cpp fix_bond_swap.cpp fix_box_relax.cpp fix_deform.cpp fix_deposit.cpp fix_drag.cpp fix_dt_reset.cpp fix_efield.cpp fix_enforce2d.cpp fix_evaporate.cpp fix_event.cpp fix_event_prd.cpp fix_event_tad.cpp fix_external.cpp fix_freeze.cpp fix_gcmc.cpp fix_gld.cpp fix_gravity.cpp fix_heat.cpp fix_indent.cpp fix_langevin.cpp fix_lineforce.cpp fix_minimize.cpp fix_momentum.cpp fix_move.cpp fix_msst.cpp fix_neb.cpp fix_nh.cpp fix_nh_asphere.cpp fix_nh_sphere.cpp fix_nph.cpp fix_nph_asphere.cpp fix_nph_sphere.cpp fix_nphug.cpp fix_npt.cpp fix_npt_asphere.cpp fix_npt_sphere.cpp fix_nve.cpp fix_nve_asphere.cpp fix_nve_asphere_noforce.cpp fix_nve_body.cpp fix_nve_limit.cpp fix_nve_line.cpp fix_nve_noforce.cpp fix_nve_sphere.cpp fix_nve_tri.cpp fix_nvt.cpp fix_nvt_asphere.cpp fix_nvt_sllod.cpp fix_nvt_sphere.cpp fix_orient_fcc.cpp fix_peri_neigh.cpp fix_planeforce.cpp fix_pour.cpp fix_press_berendsen.cpp fix_print.cpp fix_property_atom.cpp fix_qeq_comb.cpp fix_read_restart.cpp fix_recenter.cpp fix_respa.cpp fix_restrain.cpp fix_rigid.cpp fix_rigid_nh.cpp fix_rigid_nph.cpp fix_rigid_npt.cpp fix_rigid_nve.cpp fix_rigid_nvt.cpp fix_rigid_small.cpp fix_setforce.cpp fix_shake.cpp fix_shear_history.cpp fix_spring.cpp fix_spring_rg.cpp fix_spring_self.cpp fix_srd.cpp fix_store.cpp fix_store_force.cpp fix_store_state.cpp fix_temp_berendsen.cpp fix_temp_rescale.cpp fix_thermal_conductivity.cpp fix_tmd.cpp fix_ttm.cpp fix_viscosity.cpp fix_viscous.cpp fix_wall.cpp fix_wall_colloid.cpp fix_wall_gran.cpp fix_wall_harmonic.cpp fix_wall_lj1043.cpp fix_wall_lj126.cpp fix_wall_lj93.cpp fix_wall_piston.cpp fix_wall_reflect.cpp fix_wall_region.cpp fix_wall_srd.cpp force.cpp group.cpp image.cpp improper.cpp improper_class2.cpp improper_cvff.cpp improper_harmonic.cpp improper_hybrid.cpp improper_umbrella.cpp input.cpp integrate.cpp irregular.cpp kspace.cpp lammps.cpp lattice.cpp library.cpp  math_extra.cpp memory.cpp min.cpp min_cg.cpp min_fire.cpp min_hftn.cpp min_linesearch.cpp min_quickmin.cpp min_sd.cpp minimize.cpp modify.cpp molecule.cpp neb.cpp neigh_bond.cpp neigh_derive.cpp neigh_full.cpp neigh_gran.cpp neigh_half_bin.cpp neigh_half_multi.cpp neigh_half_nsq.cpp neigh_list.cpp neigh_request.cpp neigh_respa.cpp neigh_stencil.cpp neighbor.cpp output.cpp pair.cpp pair_adp.cpp pair_airebo.cpp pair_beck.cpp pair_body.cpp pair_bop.cpp pair_born.cpp pair_born_coul_wolf.cpp pair_brownian.cpp pair_brownian_poly.cpp pair_buck.cpp pair_buck_coul_cut.cpp pair_colloid.cpp pair_colloid_poly.cpp pair_comb.cpp pair_comb3.cpp pair_coul_cut.cpp pair_coul_debye.cpp pair_coul_dsf.cpp pair_coul_wolf.cpp pair_dipole_cut.cpp pair_dpd.cpp pair_dpd_tstat.cpp pair_dsmc.cpp pair_eam.cpp pair_eam_alloy.cpp pair_eam_alloy_opt.cpp pair_eam_fs.cpp pair_eam_fs_opt.cpp pair_eam_opt.cpp pair_eim.cpp pair_gauss.cpp pair_gayberne.cpp pair_gran_hertz_history.cpp pair_gran_hooke.cpp pair_gran_hooke_history.cpp pair_hbond_dreiding_lj.cpp pair_hbond_dreiding_morse.cpp pair_hybrid.cpp pair_hybrid_overlay.cpp pair_lcbop.cpp pair_line_lj.cpp pair_lj96_cut.cpp pair_lj_charmm_coul_charmm.cpp pair_lj_charmm_coul_charmm_implicit.cpp pair_lj_class2.cpp pair_lj_class2_coul_cut.cpp pair_lj_class2_coul_long.cpp pair_lj_cubic.cpp pair_lj_cut.cpp pair_lj_cut_coul_cut.cpp pair_lj_cut_coul_debye.cpp pair_lj_cut_coul_dsf.cpp pair_lj_cut_dipole_cut.cpp pair_lj_cut_dipole_long.cpp pair_lj_cut_opt.cpp pair_lj_cut_tip4p_cut.cpp pair_lj_expand.cpp pair_lj_gromacs.cpp pair_lj_gromacs_coul_gromacs.cpp pair_lj_long_dipole_long.cpp pair_lj_smooth.cpp pair_lj_smooth_linear.cpp pair_lubricate.cpp pair_lubricateU.cpp pair_lubricateU_poly.cpp pair_lubricate_poly.cpp pair_mie_cut.cpp pair_morse.cpp pair_morse_opt.cpp pair_nb3b_harmonic.cpp pair_nm_cut.cpp pair_nm_cut_coul_cut.cpp pair_nm_cut_coul_long.cpp pair_peri_lps.cpp pair_peri_pmb.cpp pair_peri_ves.cpp pair_rebo.cpp pair_resquared.cpp pair_soft.cpp pair_sw.cpp pair_table.cpp pair_tersoff.cpp pair_tersoff_mod.cpp pair_tersoff_zbl.cpp pair_tip4p_cut.cpp pair_tri_lj.cpp pair_yukawa.cpp pair_yukawa_colloid.cpp pair_zbl.cpp prd.cpp procmap.cpp random_mars.cpp random_park.cpp read_data.cpp read_dump.cpp read_restart.cpp reader.cpp reader_native.cpp reader_xyz.cpp region.cpp region_block.cpp region_cone.cpp region_cylinder.cpp region_intersect.cpp region_plane.cpp region_prism.cpp region_sphere.cpp region_union.cpp replicate.cpp rerun.cpp respa.cpp run.cpp set.cpp special.cpp tad.cpp temper.cpp thermo.cpp timer.cpp universe.cpp update.cpp variable.cpp velocity.cpp verlet.cpp verlet_split.cpp write_data.cpp write_dump.cpp write_restart.cpp xdr_compat.cpp 
+SRC =	angle.cpp angle_charmm.cpp angle_class2.cpp angle_cosine.cpp angle_cosine_delta.cpp angle_cosine_periodic.cpp angle_cosine_squared.cpp angle_harmonic.cpp angle_hybrid.cpp angle_table.cpp atom.cpp atom_map.cpp atom_vec.cpp atom_vec_angle.cpp atom_vec_atomic.cpp atom_vec_body.cpp atom_vec_bond.cpp atom_vec_charge.cpp atom_vec_dipole.cpp atom_vec_ellipsoid.cpp atom_vec_full.cpp atom_vec_hybrid.cpp atom_vec_line.cpp atom_vec_molecular.cpp atom_vec_peri.cpp atom_vec_sphere.cpp atom_vec_template.cpp atom_vec_tri.cpp balance.cpp body.cpp body_nparticle.cpp bond.cpp bond_class2.cpp bond_fene.cpp bond_fene_expand.cpp bond_harmonic.cpp bond_hybrid.cpp bond_morse.cpp bond_nonlinear.cpp bond_quartic.cpp bond_table.cpp change_box.cpp citeme.cpp comm.cpp comm_brick.cpp comm_tiled.cpp compute.cpp compute_angle_local.cpp compute_atom_molecule.cpp compute_body_local.cpp compute_bond_local.cpp compute_centro_atom.cpp compute_cluster_atom.cpp compute_cna_atom.cpp compute_com.cpp compute_com_molecule.cpp compute_contact_atom.cpp compute_coord_atom.cpp compute_damage_atom.cpp compute_dihedral_local.cpp compute_dilatation_atom.cpp compute_displace_atom.cpp compute_erotate_asphere.cpp compute_erotate_rigid.cpp compute_erotate_sphere.cpp compute_erotate_sphere_atom.cpp compute_event_displace.cpp compute_group_group.cpp compute_gyration.cpp compute_gyration_molecule.cpp compute_heat_flux.cpp compute_improper_local.cpp compute_inertia_molecule.cpp compute_ke.cpp compute_ke_atom.cpp compute_ke_rigid.cpp compute_msd.cpp compute_msd_molecule.cpp compute_msd_nongauss.cpp compute_pair.cpp compute_pair_local.cpp compute_pe.cpp compute_pe_atom.cpp compute_plasticity_atom.cpp compute_pressure.cpp compute_property_atom.cpp compute_property_local.cpp compute_property_molecule.cpp compute_rdf.cpp compute_reduce.cpp compute_reduce_region.cpp compute_slice.cpp compute_stress_atom.cpp compute_temp.cpp compute_temp_asphere.cpp compute_temp_com.cpp compute_temp_deform.cpp compute_temp_partial.cpp compute_temp_profile.cpp compute_temp_ramp.cpp compute_temp_region.cpp compute_temp_sphere.cpp compute_ti.cpp compute_vacf.cpp create_atoms.cpp create_box.cpp delete_atoms.cpp delete_bonds.cpp dihedral.cpp dihedral_charmm.cpp dihedral_class2.cpp dihedral_harmonic.cpp dihedral_helix.cpp dihedral_hybrid.cpp dihedral_multi_harmonic.cpp dihedral_opls.cpp displace_atoms.cpp domain.cpp dump.cpp dump_atom.cpp dump_cfg.cpp dump_custom.cpp dump_dcd.cpp dump_image.cpp dump_local.cpp dump_movie.cpp dump_xtc.cpp dump_xyz.cpp error.cpp finish.cpp fix.cpp fix_adapt.cpp fix_addforce.cpp fix_append_atoms.cpp fix_ave_atom.cpp fix_ave_correlate.cpp fix_ave_histo.cpp fix_ave_spatial.cpp fix_ave_time.cpp fix_aveforce.cpp fix_balance.cpp fix_bond_break.cpp fix_bond_create.cpp fix_bond_swap.cpp fix_box_relax.cpp fix_deform.cpp fix_deposit.cpp fix_drag.cpp fix_dt_reset.cpp fix_efield.cpp fix_enforce2d.cpp fix_evaporate.cpp fix_event.cpp fix_event_prd.cpp fix_event_tad.cpp fix_external.cpp fix_freeze.cpp fix_gcmc.cpp fix_gld.cpp fix_gravity.cpp fix_group.cpp fix_heat.cpp fix_indent.cpp fix_langevin.cpp fix_lineforce.cpp fix_minimize.cpp fix_momentum.cpp fix_move.cpp fix_msst.cpp fix_neb.cpp fix_nh.cpp fix_nh_asphere.cpp fix_nh_sphere.cpp fix_nph.cpp fix_nph_asphere.cpp fix_nph_sphere.cpp fix_nphug.cpp fix_npt.cpp fix_npt_asphere.cpp fix_npt_sphere.cpp fix_nve.cpp fix_nve_asphere.cpp fix_nve_asphere_noforce.cpp fix_nve_body.cpp fix_nve_limit.cpp fix_nve_line.cpp fix_nve_noforce.cpp fix_nve_sphere.cpp fix_nve_tri.cpp fix_nvt.cpp fix_nvt_asphere.cpp fix_nvt_sllod.cpp fix_nvt_sphere.cpp fix_oneway.cpp fix_orient_fcc.cpp fix_peri_neigh.cpp fix_planeforce.cpp fix_pour.cpp fix_press_berendsen.cpp fix_print.cpp fix_property_atom.cpp fix_qeq_comb.cpp fix_read_restart.cpp fix_recenter.cpp fix_respa.cpp fix_restrain.cpp fix_rigid.cpp fix_rigid_nh.cpp fix_rigid_nh_small.cpp fix_rigid_nph.cpp fix_rigid_nph_small.cpp fix_rigid_npt.cpp fix_rigid_npt_small.cpp fix_rigid_nve.cpp fix_rigid_nve_small.cpp fix_rigid_nvt.cpp fix_rigid_nvt_small.cpp fix_rigid_small.cpp fix_setforce.cpp fix_shake.cpp fix_shear_history.cpp fix_spring.cpp fix_spring_rg.cpp fix_spring_self.cpp fix_srd.cpp fix_store.cpp fix_store_force.cpp fix_store_state.cpp fix_temp_berendsen.cpp fix_temp_csvr.cpp fix_temp_rescale.cpp fix_thermal_conductivity.cpp fix_tmd.cpp fix_ttm.cpp fix_vector.cpp fix_viscosity.cpp fix_viscous.cpp fix_wall.cpp fix_wall_colloid.cpp fix_wall_gran.cpp fix_wall_harmonic.cpp fix_wall_lj1043.cpp fix_wall_lj126.cpp fix_wall_lj93.cpp fix_wall_piston.cpp fix_wall_reflect.cpp fix_wall_region.cpp fix_wall_srd.cpp force.cpp group.cpp image.cpp improper.cpp improper_class2.cpp improper_cvff.cpp improper_harmonic.cpp improper_hybrid.cpp improper_umbrella.cpp input.cpp integrate.cpp irregular.cpp kspace.cpp lammps.cpp lattice.cpp library.cpp  math_extra.cpp memory.cpp min.cpp min_cg.cpp min_fire.cpp min_hftn.cpp min_linesearch.cpp min_quickmin.cpp min_sd.cpp minimize.cpp modify.cpp molecule.cpp neb.cpp neigh_bond.cpp neigh_derive.cpp neigh_full.cpp neigh_gran.cpp neigh_half_bin.cpp neigh_half_multi.cpp neigh_half_nsq.cpp neigh_list.cpp neigh_request.cpp neigh_respa.cpp neigh_stencil.cpp neighbor.cpp output.cpp pair.cpp pair_adp.cpp pair_airebo.cpp pair_beck.cpp pair_body.cpp pair_bop.cpp pair_born.cpp pair_born_coul_wolf.cpp pair_brownian.cpp pair_brownian_poly.cpp pair_buck.cpp pair_buck_coul_cut.cpp pair_colloid.cpp pair_comb.cpp pair_comb3.cpp pair_coul_cut.cpp pair_coul_debye.cpp pair_coul_dsf.cpp pair_coul_wolf.cpp pair_dipole_cut.cpp pair_dpd.cpp pair_dpd_tstat.cpp pair_dsmc.cpp pair_eam.cpp pair_eam_alloy.cpp pair_eam_alloy_opt.cpp pair_eam_fs.cpp pair_eam_fs_opt.cpp pair_eam_opt.cpp pair_eim.cpp pair_gauss.cpp pair_gayberne.cpp pair_gran_hertz_history.cpp pair_gran_hooke.cpp pair_gran_hooke_history.cpp pair_hbond_dreiding_lj.cpp pair_hbond_dreiding_morse.cpp pair_hybrid.cpp pair_hybrid_overlay.cpp pair_lcbop.cpp pair_line_lj.cpp pair_lj96_cut.cpp pair_lj_charmm_coul_charmm.cpp pair_lj_charmm_coul_charmm_implicit.cpp pair_lj_class2.cpp pair_lj_class2_coul_cut.cpp pair_lj_class2_coul_long.cpp pair_lj_cubic.cpp pair_lj_cut.cpp pair_lj_cut_coul_cut.cpp pair_lj_cut_coul_debye.cpp pair_lj_cut_coul_dsf.cpp pair_lj_cut_dipole_cut.cpp pair_lj_cut_dipole_long.cpp pair_lj_cut_opt.cpp pair_lj_cut_tip4p_cut.cpp pair_lj_expand.cpp pair_lj_gromacs.cpp pair_lj_gromacs_coul_gromacs.cpp pair_lj_long_dipole_long.cpp pair_lj_smooth.cpp pair_lj_smooth_linear.cpp pair_lubricate.cpp pair_lubricateU.cpp pair_lubricateU_poly.cpp pair_lubricate_poly.cpp pair_mie_cut.cpp pair_morse.cpp pair_morse_opt.cpp pair_nb3b_harmonic.cpp pair_nm_cut.cpp pair_nm_cut_coul_cut.cpp pair_nm_cut_coul_long.cpp pair_peri_eps.cpp pair_peri_lps.cpp pair_peri_pmb.cpp pair_peri_ves.cpp pair_rebo.cpp pair_resquared.cpp pair_soft.cpp pair_sw.cpp pair_table.cpp pair_tersoff.cpp pair_tersoff_mod.cpp pair_tersoff_zbl.cpp pair_tip4p_cut.cpp pair_tri_lj.cpp pair_yukawa.cpp pair_yukawa_colloid.cpp pair_zbl.cpp prd.cpp procmap.cpp random_mars.cpp random_park.cpp read_data.cpp read_dump.cpp read_restart.cpp reader.cpp reader_native.cpp reader_xyz.cpp region.cpp region_block.cpp region_cone.cpp region_cylinder.cpp region_intersect.cpp region_plane.cpp region_prism.cpp region_sphere.cpp region_union.cpp replicate.cpp rerun.cpp respa.cpp run.cpp set.cpp special.cpp tad.cpp temper.cpp thermo.cpp timer.cpp universe.cpp update.cpp variable.cpp velocity.cpp verlet.cpp verlet_split.cpp write_data.cpp write_dump.cpp write_restart.cpp xdr_compat.cpp 
 
-INC =	accelerator_cuda.h accelerator_omp.h angle.h angle_charmm.h angle_class2.h angle_cosine.h angle_cosine_delta.h angle_cosine_periodic.h angle_cosine_squared.h angle_harmonic.h angle_hybrid.h angle_table.h atom.h atom_map.h atom_masks.h atom_vec.h atom_vec_angle.h atom_vec_atomic.h atom_vec_body.h atom_vec_bond.h atom_vec_charge.h atom_vec_dipole.h atom_vec_ellipsoid.h atom_vec_full.h atom_vec_hybrid.h atom_vec_line.h atom_vec_molecular.h atom_vec_peri.h atom_vec_sphere.h atom_vec_tri.h balance.h body.h body_nparticle.h bond.h bond_class2.h bond_fene.h bond_fene_expand.h bond_harmonic.h bond_hybrid.h bond_morse.h bond_nonlinear.h bond_quartic.h bond_table.h change_box.h citeme.h comm.h compute.h compute_angle_local.h compute_atom_molecule.h compute_body_local.h compute_bond_local.h compute_centro_atom.h compute_cluster_atom.h compute_cna_atom.h compute_com.h compute_com_molecule.h compute_contact_atom.h compute_coord_atom.h compute_damage_atom.h compute_dihedral_local.h compute_displace_atom.h compute_erotate_asphere.h compute_erotate_rigid.h compute_erotate_sphere.h compute_erotate_sphere_atom.h compute_event_displace.h compute_group_group.h compute_gyration.h compute_gyration_molecule.h compute_heat_flux.h compute_improper_local.h compute_inertia_molecule.h compute_ke.h compute_ke_atom.h compute_ke_rigid.h compute_msd.h compute_msd_molecule.h compute_msd_nongauss.h compute_pair.h compute_pair_local.h compute_pe.h compute_pe_atom.h compute_pressure.h compute_property_atom.h compute_property_local.h compute_property_molecule.h compute_rdf.h compute_reduce.h compute_reduce_region.h compute_slice.h compute_stress_atom.h compute_temp.h compute_temp_asphere.h compute_temp_com.h compute_temp_deform.h compute_temp_partial.h compute_temp_profile.h compute_temp_ramp.h compute_temp_region.h compute_temp_sphere.h compute_ti.h compute_vacf.h create_atoms.h create_box.h delete_atoms.h delete_bonds.h dihedral.h dihedral_charmm.h dihedral_class2.h dihedral_harmonic.h dihedral_helix.h dihedral_hybrid.h dihedral_multi_harmonic.h dihedral_opls.h displace_atoms.h domain.h dump.h dump_atom.h dump_cfg.h dump_custom.h dump_dcd.h dump_image.h dump_local.h dump_movie.h dump_xtc.h dump_xyz.h error.h finish.h fix.h fix_adapt.h fix_addforce.h fix_append_atoms.h fix_ave_atom.h fix_ave_correlate.h fix_ave_histo.h fix_ave_spatial.h fix_ave_time.h fix_aveforce.h fix_balance.h fix_bond_break.h fix_bond_create.h fix_bond_swap.h fix_box_relax.h fix_deform.h fix_deposit.h fix_drag.h fix_dt_reset.h fix_efield.h fix_enforce2d.h fix_evaporate.h fix_event.h fix_event_prd.h fix_event_tad.h fix_external.h fix_freeze.h fix_gcmc.h fix_gld.h fix_gravity.h fix_heat.h fix_indent.h fix_langevin.h fix_lineforce.h fix_minimize.h fix_momentum.h fix_move.h fix_msst.h fix_neb.h fix_nh.h fix_nh_asphere.h fix_nh_sphere.h fix_nph.h fix_nph_asphere.h fix_nph_sphere.h fix_nphug.h fix_npt.h fix_npt_asphere.h fix_npt_sphere.h fix_nve.h fix_nve_asphere.h fix_nve_asphere_noforce.h fix_nve_body.h fix_nve_limit.h fix_nve_line.h fix_nve_noforce.h fix_nve_sphere.h fix_nve_tri.h fix_nvt.h fix_nvt_asphere.h fix_nvt_sllod.h fix_nvt_sphere.h fix_orient_fcc.h fix_peri_neigh.h fix_planeforce.h fix_pour.h fix_press_berendsen.h fix_print.h fix_property_atom.h fix_qeq_comb.h fix_read_restart.h fix_recenter.h fix_respa.h fix_restrain.h fix_rigid.h fix_rigid_nh.h fix_rigid_nph.h fix_rigid_npt.h fix_rigid_nve.h fix_rigid_nvt.h fix_rigid_small.h fix_setforce.h fix_shake.h fix_shear_history.h fix_spring.h fix_spring_rg.h fix_spring_self.h fix_srd.h fix_store.h fix_store_force.h fix_store_state.h fix_temp_berendsen.h fix_temp_rescale.h fix_thermal_conductivity.h fix_tmd.h fix_ttm.h fix_viscosity.h fix_viscous.h fix_wall.h fix_wall_colloid.h fix_wall_gran.h fix_wall_harmonic.h fix_wall_lj1043.h fix_wall_lj126.h fix_wall_lj93.h fix_wall_piston.h fix_wall_reflect.h fix_wall_region.h fix_wall_srd.h force.h group.h image.h improper.h improper_class2.h improper_cvff.h improper_harmonic.h improper_hybrid.h improper_umbrella.h input.h integrate.h irregular.h kspace.h lammps.h lattice.h library.h lmptype.h lmpwindows.h math_complex.h math_const.h math_extra.h math_special.h math_vector.h memory.h min.h min_cg.h min_fire.h min_hftn.h min_linesearch.h min_quickmin.h min_sd.h minimize.h modify.h molecule.h mpiio.h my_page.h my_pool_chunk.h neb.h neigh_bond.h neigh_derive.h neigh_full.h neigh_gran.h neigh_half_bin.h neigh_half_multi.h neigh_half_nsq.h neigh_list.h neigh_request.h neigh_respa.h neighbor.h output.h pack.h pair.h pair_adp.h pair_airebo.h pair_beck.h pair_body.h pair_bop.h pair_born.h pair_born_coul_wolf.h pair_brownian.h pair_brownian_poly.h pair_buck.h pair_buck_coul_cut.h pair_colloid.h pair_colloid_poly.h pair_comb.h pair_comb3.h pair_coul_cut.h pair_coul_debye.h pair_coul_dsf.h pair_coul_wolf.h pair_dipole_cut.h pair_dpd.h pair_dpd_tstat.h pair_dsmc.h pair_eam.h pair_eam_alloy.h pair_eam_alloy_opt.h pair_eam_fs.h pair_eam_fs_opt.h pair_eam_opt.h pair_eim.h pair_gauss.h pair_gayberne.h pair_gran_hertz_history.h pair_gran_hooke.h pair_gran_hooke_history.h pair_hbond_dreiding_lj.h pair_hbond_dreiding_morse.h pair_hybrid.h pair_hybrid_overlay.h pair_lcbop.h pair_line_lj.h pair_lj96_cut.h pair_lj_charmm_coul_charmm.h pair_lj_charmm_coul_charmm_implicit.h pair_lj_class2.h pair_lj_class2_coul_cut.h pair_lj_class2_coul_long.h pair_lj_cubic.h pair_lj_cut.h pair_lj_cut_coul_cut.h pair_lj_cut_coul_debye.h pair_lj_cut_coul_dsf.h pair_lj_cut_dipole_cut.h pair_lj_cut_dipole_long.h pair_lj_cut_opt.h pair_lj_cut_tip4p_cut.h pair_lj_expand.h pair_lj_gromacs.h pair_lj_gromacs_coul_gromacs.h pair_lj_long_dipole_long.h pair_lj_smooth.h pair_lj_smooth_linear.h pair_lubricate.h pair_lubricateU.h pair_lubricateU_poly.h pair_lubricate_poly.h pair_mie_cut.h pair_morse.h pair_morse_opt.h pair_nb3b_harmonic.h pair_nm_cut.h pair_nm_cut_coul_cut.h pair_nm_cut_coul_long.h pair_peri_lps.h pair_peri_pmb.h pair_peri_ves.h pair_rebo.h pair_resquared.h pair_soft.h pair_sw.h pair_table.h pair_tersoff.h pair_tersoff_mod.h pair_tersoff_zbl.h pair_tip4p_cut.h pair_tri_lj.h pair_yukawa.h pair_yukawa_colloid.h pair_zbl.h pointers.h prd.h procmap.h random_mars.h random_park.h read_data.h read_dump.h read_restart.h reader.h reader_native.h reader_xyz.h region.h region_block.h region_cone.h region_cylinder.h region_intersect.h region_plane.h region_prism.h region_sphere.h region_union.h replicate.h rerun.h respa.h run.h set.h special.h style_angle.h style_atom.h style_body.h style_bond.h style_command.h style_compute.h style_dihedral.h style_dump.h style_fix.h style_improper.h style_integrate.h style_kspace.h style_minimize.h style_pair.h style_reader.h style_region.h suffix.h tad.h temper.h thermo.h timer.h universe.h update.h variable.h velocity.h verlet.h verlet_split.h version.h write_data.h write_dump.h write_restart.h xdr_compat.h 
+INC =	accelerator_cuda.h accelerator_kokkos.h accelerator_omp.h angle.h angle_charmm.h angle_class2.h angle_cosine.h angle_cosine_delta.h angle_cosine_periodic.h angle_cosine_squared.h angle_harmonic.h angle_hybrid.h angle_table.h atom.h atom_map.h atom_masks.h atom_vec.h atom_vec_angle.h atom_vec_atomic.h atom_vec_body.h atom_vec_bond.h atom_vec_charge.h atom_vec_dipole.h atom_vec_ellipsoid.h atom_vec_full.h atom_vec_hybrid.h atom_vec_line.h atom_vec_molecular.h atom_vec_peri.h atom_vec_sphere.h atom_vec_template.h atom_vec_tri.h balance.h body.h body_nparticle.h bond.h bond_class2.h bond_fene.h bond_fene_expand.h bond_harmonic.h bond_hybrid.h bond_morse.h bond_nonlinear.h bond_quartic.h bond_table.h change_box.h citeme.h comm.h comm_brick.h comm_tiled.h compute.h compute_angle_local.h compute_atom_molecule.h compute_body_local.h compute_bond_local.h compute_centro_atom.h compute_cluster_atom.h compute_cna_atom.h compute_com.h compute_com_molecule.h compute_contact_atom.h compute_coord_atom.h compute_damage_atom.h compute_dihedral_local.h compute_dilatation_atom.h compute_displace_atom.h compute_erotate_asphere.h compute_erotate_rigid.h compute_erotate_sphere.h compute_erotate_sphere_atom.h compute_event_displace.h compute_group_group.h compute_gyration.h compute_gyration_molecule.h compute_heat_flux.h compute_improper_local.h compute_inertia_molecule.h compute_ke.h compute_ke_atom.h compute_ke_rigid.h compute_msd.h compute_msd_molecule.h compute_msd_nongauss.h compute_pair.h compute_pair_local.h compute_pe.h compute_pe_atom.h compute_plasticity_atom.h compute_pressure.h compute_property_atom.h compute_property_local.h compute_property_molecule.h compute_rdf.h compute_reduce.h compute_reduce_region.h compute_slice.h compute_stress_atom.h compute_temp.h compute_temp_asphere.h compute_temp_com.h compute_temp_deform.h compute_temp_partial.h compute_temp_profile.h compute_temp_ramp.h compute_temp_region.h compute_temp_sphere.h compute_ti.h compute_vacf.h create_atoms.h create_box.h delete_atoms.h delete_bonds.h dihedral.h dihedral_charmm.h dihedral_class2.h dihedral_harmonic.h dihedral_helix.h dihedral_hybrid.h dihedral_multi_harmonic.h dihedral_opls.h displace_atoms.h domain.h dump.h dump_atom.h dump_cfg.h dump_custom.h dump_dcd.h dump_image.h dump_local.h dump_movie.h dump_xtc.h dump_xyz.h error.h finish.h fix.h fix_adapt.h fix_addforce.h fix_append_atoms.h fix_ave_atom.h fix_ave_correlate.h fix_ave_histo.h fix_ave_spatial.h fix_ave_time.h fix_aveforce.h fix_balance.h fix_bond_break.h fix_bond_create.h fix_bond_swap.h fix_box_relax.h fix_deform.h fix_deposit.h fix_drag.h fix_dt_reset.h fix_efield.h fix_enforce2d.h fix_evaporate.h fix_event.h fix_event_prd.h fix_event_tad.h fix_external.h fix_freeze.h fix_gcmc.h fix_gld.h fix_gravity.h fix_group.h fix_heat.h fix_indent.h fix_langevin.h fix_lineforce.h fix_minimize.h fix_momentum.h fix_move.h fix_msst.h fix_neb.h fix_nh.h fix_nh_asphere.h fix_nh_sphere.h fix_nph.h fix_nph_asphere.h fix_nph_sphere.h fix_nphug.h fix_npt.h fix_npt_asphere.h fix_npt_sphere.h fix_nve.h fix_nve_asphere.h fix_nve_asphere_noforce.h fix_nve_body.h fix_nve_limit.h fix_nve_line.h fix_nve_noforce.h fix_nve_sphere.h fix_nve_tri.h fix_nvt.h fix_nvt_asphere.h fix_nvt_sllod.h fix_nvt_sphere.h fix_oneway.h fix_orient_fcc.h fix_peri_neigh.h fix_planeforce.h fix_pour.h fix_press_berendsen.h fix_print.h fix_property_atom.h fix_qeq_comb.h fix_read_restart.h fix_recenter.h fix_respa.h fix_restrain.h fix_rigid.h fix_rigid_nh.h fix_rigid_nh_small.h fix_rigid_nph.h fix_rigid_nph_small.h fix_rigid_npt.h fix_rigid_npt_small.h fix_rigid_nve.h fix_rigid_nve_small.h fix_rigid_nvt.h fix_rigid_nvt_small.h fix_rigid_small.h fix_setforce.h fix_shake.h fix_shear_history.h fix_spring.h fix_spring_rg.h fix_spring_self.h fix_srd.h fix_store.h fix_store_force.h fix_store_state.h fix_temp_berendsen.h fix_temp_csvr.h fix_temp_rescale.h fix_thermal_conductivity.h fix_tmd.h fix_ttm.h fix_vector.h fix_viscosity.h fix_viscous.h fix_wall.h fix_wall_colloid.h fix_wall_gran.h fix_wall_harmonic.h fix_wall_lj1043.h fix_wall_lj126.h fix_wall_lj93.h fix_wall_piston.h fix_wall_reflect.h fix_wall_region.h fix_wall_srd.h force.h group.h image.h improper.h improper_class2.h improper_cvff.h improper_harmonic.h improper_hybrid.h improper_umbrella.h input.h integrate.h irregular.h kspace.h lammps.h lattice.h library.h lmptype.h lmpwindows.h math_complex.h math_const.h math_extra.h math_special.h math_vector.h memory.h min.h min_cg.h min_fire.h min_hftn.h min_linesearch.h min_quickmin.h min_sd.h minimize.h modify.h molecule.h mpiio.h my_page.h my_pool_chunk.h neb.h neigh_bond.h neigh_derive.h neigh_full.h neigh_gran.h neigh_half_bin.h neigh_half_multi.h neigh_half_nsq.h neigh_list.h neigh_request.h neigh_respa.h neighbor.h output.h pack.h pair.h pair_adp.h pair_airebo.h pair_beck.h pair_body.h pair_bop.h pair_born.h pair_born_coul_wolf.h pair_brownian.h pair_brownian_poly.h pair_buck.h pair_buck_coul_cut.h pair_colloid.h pair_comb.h pair_comb3.h pair_coul_cut.h pair_coul_debye.h pair_coul_dsf.h pair_coul_wolf.h pair_dipole_cut.h pair_dpd.h pair_dpd_tstat.h pair_dsmc.h pair_eam.h pair_eam_alloy.h pair_eam_alloy_opt.h pair_eam_fs.h pair_eam_fs_opt.h pair_eam_opt.h pair_eim.h pair_gauss.h pair_gayberne.h pair_gran_hertz_history.h pair_gran_hooke.h pair_gran_hooke_history.h pair_hbond_dreiding_lj.h pair_hbond_dreiding_morse.h pair_hybrid.h pair_hybrid_overlay.h pair_lcbop.h pair_line_lj.h pair_lj96_cut.h pair_lj_charmm_coul_charmm.h pair_lj_charmm_coul_charmm_implicit.h pair_lj_class2.h pair_lj_class2_coul_cut.h pair_lj_class2_coul_long.h pair_lj_cubic.h pair_lj_cut.h pair_lj_cut_coul_cut.h pair_lj_cut_coul_debye.h pair_lj_cut_coul_dsf.h pair_lj_cut_dipole_cut.h pair_lj_cut_dipole_long.h pair_lj_cut_opt.h pair_lj_cut_tip4p_cut.h pair_lj_expand.h pair_lj_gromacs.h pair_lj_gromacs_coul_gromacs.h pair_lj_long_dipole_long.h pair_lj_smooth.h pair_lj_smooth_linear.h pair_lubricate.h pair_lubricateU.h pair_lubricateU_poly.h pair_lubricate_poly.h pair_mie_cut.h pair_morse.h pair_morse_opt.h pair_nb3b_harmonic.h pair_nm_cut.h pair_nm_cut_coul_cut.h pair_nm_cut_coul_long.h pair_peri_eps.h pair_peri_lps.h pair_peri_pmb.h pair_peri_ves.h pair_rebo.h pair_resquared.h pair_soft.h pair_sw.h pair_table.h pair_tersoff.h pair_tersoff_mod.h pair_tersoff_zbl.h pair_tip4p_cut.h pair_tri_lj.h pair_yukawa.h pair_yukawa_colloid.h pair_zbl.h pointers.h prd.h procmap.h random_mars.h random_park.h read_data.h read_dump.h read_restart.h reader.h reader_native.h reader_xyz.h region.h region_block.h region_cone.h region_cylinder.h region_intersect.h region_plane.h region_prism.h region_sphere.h region_union.h replicate.h rerun.h respa.h run.h set.h special.h style_angle.h style_atom.h style_body.h style_bond.h style_command.h style_compute.h style_dihedral.h style_dump.h style_fix.h style_improper.h style_integrate.h style_kspace.h style_minimize.h style_pair.h style_reader.h style_region.h suffix.h tad.h temper.h thermo.h timer.h universe.h update.h variable.h velocity.h verlet.h verlet_split.h version.h write_data.h write_dump.h write_restart.h xdr_compat.h 
 
 OBJ =	$(SRC:.cpp=.o)
 

From 16882404735fc391a5fe64baefc05d43630acc8a Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Sat, 7 Jun 2014 00:01:59 +0000
Subject: [PATCH 31/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12104
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/version.h | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/version.h b/src/version.h
index 3074249477..7e2136f4cc 100644
--- a/src/version.h
+++ b/src/version.h
@@ -1 +1 @@
-#define LAMMPS_VERSION "4 Jun 2014"
+#define LAMMPS_VERSION "6 Jun 2014"

From 52a1ef7a14ad3f6f019d2c93197e25e88fa791fa Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Sat, 7 Jun 2014 00:02:00 +0000
Subject: [PATCH 32/32] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12105
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 doc/Manual.html | 4 ++--
 doc/Manual.txt  | 4 ++--
 2 files changed, 4 insertions(+), 4 deletions(-)

diff --git a/doc/Manual.html b/doc/Manual.html
index 54da582f8d..661235bfec 100644
--- a/doc/Manual.html
+++ b/doc/Manual.html
@@ -1,7 +1,7 @@
 <HTML>
 <HEAD>
 <TITLE>LAMMPS Users Manual</TITLE>
-<META NAME="docnumber" CONTENT="4 Jun 2014 version">
+<META NAME="docnumber" CONTENT="6 Jun 2014 version">
 <META NAME="author" CONTENT="http://lammps.sandia.gov - Sandia National Laboratories">
 <META NAME="copyright" CONTENT="Copyright (2003) Sandia Corporation.  This software and manual is distributed under the GNU General Public License.">
 </HEAD>
@@ -22,7 +22,7 @@
 
 <CENTER><H3>LAMMPS Documentation 
 </H3></CENTER>
-<CENTER><H4>4 Jun 2014 version 
+<CENTER><H4>6 Jun 2014 version 
 </H4></CENTER>
 <H4>Version info: 
 </H4>
diff --git a/doc/Manual.txt b/doc/Manual.txt
index b6dacc6f36..0afe71d4ab 100644
--- a/doc/Manual.txt
+++ b/doc/Manual.txt
@@ -1,6 +1,6 @@
 <HEAD>
 <TITLE>LAMMPS Users Manual</TITLE>
-<META NAME="docnumber" CONTENT="4 Jun 2014 version">
+<META NAME="docnumber" CONTENT="6 Jun 2014 version">
 <META NAME="author" CONTENT="http://lammps.sandia.gov - Sandia National Laboratories">
 <META NAME="copyright" CONTENT="Copyright (2003) Sandia Corporation.  This software and manual is distributed under the GNU General Public License.">
 </HEAD>
@@ -18,7 +18,7 @@
 <H1></H1>
 
 LAMMPS Documentation :c,h3
-4 Jun 2014 version :c,h4
+6 Jun 2014 version :c,h4
 
 Version info: :h4