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.