diff --git a/examples/mliap/in.mliap.so3.Ni_Mo b/examples/mliap/in.mliap.so3.Ni_Mo
index 901600e156..34c900a972 100644
--- a/examples/mliap/in.mliap.so3.Ni_Mo
+++ b/examples/mliap/in.mliap.so3.Ni_Mo
@@ -23,7 +23,3 @@ velocity all create 300.0 4928459 loop geom
 fix 1 all nve
 
 run             3
-variable        emin equal $e
-variable EperAtom equal (${emin}/${N})
-
-print "Total energy (eV/atom) = ${EperAtom} "
diff --git a/examples/mliap/log.14Jun21.mliap.nn.Cu.g++.1 b/examples/mliap/log.14Jun21.mliap.nn.Cu.g++.1
new file mode 100644
index 0000000000..7e23163086
--- /dev/null
+++ b/examples/mliap/log.14Jun21.mliap.nn.Cu.g++.1
@@ -0,0 +1,133 @@
+LAMMPS (27 May 2021)
+# Demonstrate MLIAP interface to SNAP nn Cu potential
+
+# Initialize simulation
+
+variable nsteps index 100
+variable nrep equal 4
+variable a equal 3.621262
+units           metal
+
+# generate the box and atom positions using a FCC lattice
+
+variable nx equal ${nrep}
+variable nx equal 4
+variable ny equal ${nrep}
+variable ny equal 4
+variable nz equal ${nrep}
+variable nz equal 4
+
+boundary        p p p
+
+lattice         fcc $a
+lattice         fcc 3.621262
+Lattice spacing in x,y,z = 3.6212620 3.6212620 3.6212620
+region          box block 0 ${nx} 0 ${ny} 0 ${nz}
+region          box block 0 4 0 ${ny} 0 ${nz}
+region          box block 0 4 0 4 0 ${nz}
+region          box block 0 4 0 4 0 4
+create_box      1 box
+Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (14.485048 14.485048 14.485048)
+  1 by 1 by 1 MPI processor grid
+create_atoms    1 box
+Created 256 atoms
+  create_atoms CPU = 0.000 seconds
+
+mass 1 63.546
+
+# choose potential
+
+pair_style mliap model nn Cu.nn.mliap.model descriptor sna Cu.snap.mliap.descriptor
+Reading potential file Cu.nn.mliap.model with DATE: 2021-03-03
+Reading potential file Cu.snap.mliap.descriptor with DATE: 2021-03-03
+SNAP keyword rcutfac 5.0 
+SNAP keyword twojmax 6 
+SNAP keyword nelems 1 
+SNAP keyword elems Cu 
+SNAP keyword radelems 0.5 
+SNAP keyword welems 1.0 
+SNAP keyword rfac0 0.99363 
+SNAP keyword rmin0 0 
+SNAP keyword bzeroflag 0 
+SNAP keyword switchflag 1 
+pair_coeff * * Cu
+
+# Setup output
+
+compute  eatom all pe/atom
+compute  energy all reduce sum c_eatom
+
+compute  satom all stress/atom NULL
+compute  str all reduce sum c_satom[1] c_satom[2] c_satom[3]
+variable press equal (c_str[1]+c_str[2]+c_str[3])/(3*vol)
+
+thermo_style    custom step temp epair c_energy etotal press v_press
+thermo          10
+thermo_modify norm yes
+
+# Set up NVE run
+
+timestep 0.5e-3
+neighbor 1.0 bin
+neigh_modify once no every 1 delay 0 check yes
+
+# Run MD
+
+velocity all create 300.0 4928459 loop geom
+fix 1 all nve
+run             ${nsteps}
+run             100
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6
+  ghost atom cutoff = 6
+  binsize = 3, bins = 5 5 5
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair mliap, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 31.17 | 31.17 | 31.17 Mbytes
+Step Temp E_pair c_energy TotEng Press v_press 
+       0          300   -4.0935581   -4.0935581   -4.0549315   -2916.7505    2916.7505 
+      10    294.11049   -4.0927998   -4.0927998   -4.0549315   -2654.7826    2654.7826 
+      20    276.89115   -4.0905826   -4.0905826   -4.0549314   -1879.2872    1879.2872 
+      30    249.71134   -4.0870829   -4.0870829   -4.0549312   -627.47006    627.47006 
+      40    214.92415   -4.0826036   -4.0826036    -4.054931    995.44801   -995.44801 
+      50    175.86879   -4.0775747   -4.0775747   -4.0549307    2811.6019   -2811.6019 
+      60    136.62706   -4.0725218   -4.0725218   -4.0549303    4640.4144   -4640.4144 
+      70    101.48566   -4.0679968   -4.0679968     -4.05493    6313.5871   -6313.5871 
+      80    74.248664   -4.0644897   -4.0644897   -4.0549298    7644.1364   -7644.1364 
+      90    57.500423   -4.0623332   -4.0623332   -4.0549297    8514.2222   -8514.2222 
+     100    52.104609   -4.0616385   -4.0616385   -4.0549298    8870.8923   -8870.8923 
+Loop time of 4.77867 on 1 procs for 100 steps with 256 atoms
+
+Performance: 0.904 ns/day, 26.548 hours/ns, 20.926 timesteps/s
+100.0% CPU use with 1 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 4.7771     | 4.7771     | 4.7771     |   0.0 | 99.97
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.00052619 | 0.00052619 | 0.00052619 |   0.0 |  0.01
+Output  | 0.00054073 | 0.00054073 | 0.00054073 |   0.0 |  0.01
+Modify  | 0.00021744 | 0.00021744 | 0.00021744 |   0.0 |  0.00
+Other   |            | 0.0002317  |            |       |  0.00
+
+Nlocal:        256.000 ave         256 max         256 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:        1431.00 ave        1431 max        1431 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:         0.00000 ave           0 max           0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:      19968.0 ave       19968 max       19968 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 19968
+Ave neighs/atom = 78.000000
+Neighbor list builds = 0
+Dangerous builds = 0
+Total wall time: 0:00:04
diff --git a/examples/mliap/log.14Jun21.mliap.nn.Cu.g++.4 b/examples/mliap/log.14Jun21.mliap.nn.Cu.g++.4
new file mode 100644
index 0000000000..6738ce3f75
--- /dev/null
+++ b/examples/mliap/log.14Jun21.mliap.nn.Cu.g++.4
@@ -0,0 +1,133 @@
+LAMMPS (27 May 2021)
+# Demonstrate MLIAP interface to SNAP nn Cu potential
+
+# Initialize simulation
+
+variable nsteps index 100
+variable nrep equal 4
+variable a equal 3.621262
+units           metal
+
+# generate the box and atom positions using a FCC lattice
+
+variable nx equal ${nrep}
+variable nx equal 4
+variable ny equal ${nrep}
+variable ny equal 4
+variable nz equal ${nrep}
+variable nz equal 4
+
+boundary        p p p
+
+lattice         fcc $a
+lattice         fcc 3.621262
+Lattice spacing in x,y,z = 3.6212620 3.6212620 3.6212620
+region          box block 0 ${nx} 0 ${ny} 0 ${nz}
+region          box block 0 4 0 ${ny} 0 ${nz}
+region          box block 0 4 0 4 0 ${nz}
+region          box block 0 4 0 4 0 4
+create_box      1 box
+Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (14.485048 14.485048 14.485048)
+  1 by 2 by 2 MPI processor grid
+create_atoms    1 box
+Created 256 atoms
+  create_atoms CPU = 0.000 seconds
+
+mass 1 63.546
+
+# choose potential
+
+pair_style mliap model nn Cu.nn.mliap.model descriptor sna Cu.snap.mliap.descriptor
+Reading potential file Cu.nn.mliap.model with DATE: 2021-03-03
+Reading potential file Cu.snap.mliap.descriptor with DATE: 2021-03-03
+SNAP keyword rcutfac 5.0 
+SNAP keyword twojmax 6 
+SNAP keyword nelems 1 
+SNAP keyword elems Cu 
+SNAP keyword radelems 0.5 
+SNAP keyword welems 1.0 
+SNAP keyword rfac0 0.99363 
+SNAP keyword rmin0 0 
+SNAP keyword bzeroflag 0 
+SNAP keyword switchflag 1 
+pair_coeff * * Cu
+
+# Setup output
+
+compute  eatom all pe/atom
+compute  energy all reduce sum c_eatom
+
+compute  satom all stress/atom NULL
+compute  str all reduce sum c_satom[1] c_satom[2] c_satom[3]
+variable press equal (c_str[1]+c_str[2]+c_str[3])/(3*vol)
+
+thermo_style    custom step temp epair c_energy etotal press v_press
+thermo          10
+thermo_modify norm yes
+
+# Set up NVE run
+
+timestep 0.5e-3
+neighbor 1.0 bin
+neigh_modify once no every 1 delay 0 check yes
+
+# Run MD
+
+velocity all create 300.0 4928459 loop geom
+fix 1 all nve
+run             ${nsteps}
+run             100
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6
+  ghost atom cutoff = 6
+  binsize = 3, bins = 5 5 5
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair mliap, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 30.85 | 30.85 | 30.85 Mbytes
+Step Temp E_pair c_energy TotEng Press v_press 
+       0          300   -4.0935581   -4.0935581   -4.0549315   -2916.7505    2916.7505 
+      10    294.11049   -4.0927998   -4.0927998   -4.0549315   -2654.7826    2654.7826 
+      20    276.89115   -4.0905826   -4.0905826   -4.0549314   -1879.2872    1879.2872 
+      30    249.71134   -4.0870829   -4.0870829   -4.0549312   -627.47006    627.47006 
+      40    214.92415   -4.0826036   -4.0826036    -4.054931    995.44801   -995.44801 
+      50    175.86879   -4.0775747   -4.0775747   -4.0549307    2811.6019   -2811.6019 
+      60    136.62706   -4.0725218   -4.0725218   -4.0549303    4640.4144   -4640.4144 
+      70    101.48566   -4.0679968   -4.0679968     -4.05493    6313.5871   -6313.5871 
+      80    74.248664   -4.0644897   -4.0644897   -4.0549298    7644.1364   -7644.1364 
+      90    57.500423   -4.0623332   -4.0623332   -4.0549297    8514.2222   -8514.2222 
+     100    52.104609   -4.0616385   -4.0616385   -4.0549298    8870.8923   -8870.8923 
+Loop time of 1.25021 on 4 procs for 100 steps with 256 atoms
+
+Performance: 3.455 ns/day, 6.946 hours/ns, 79.987 timesteps/s
+100.0% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.2256     | 1.2347     | 1.2415     |   0.5 | 98.76
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.0074687  | 0.014311   | 0.023481   |   4.8 |  1.14
+Output  | 0.00060678 | 0.00062859 | 0.00066781 |   0.0 |  0.05
+Modify  | 8.7976e-05 | 9.7811e-05 | 0.00010943 |   0.0 |  0.01
+Other   |            | 0.0004484  |            |       |  0.04
+
+Nlocal:        64.0000 ave          64 max          64 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Nghost:        843.000 ave         843 max         843 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Neighs:         0.00000 ave           0 max           0 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+FullNghs:      4992.00 ave        4992 max        4992 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 19968
+Ave neighs/atom = 78.000000
+Neighbor list builds = 0
+Dangerous builds = 0
+Total wall time: 0:00:01
diff --git a/examples/mliap/log.14Jun21.mliap.nn.Ta06A.g++.1 b/examples/mliap/log.14Jun21.mliap.nn.Ta06A.g++.1
new file mode 100644
index 0000000000..088e00fced
--- /dev/null
+++ b/examples/mliap/log.14Jun21.mliap.nn.Ta06A.g++.1
@@ -0,0 +1,156 @@
+LAMMPS (27 May 2021)
+# Demonstrate MLIAP interface to linear SNAP potential
+
+# Initialize simulation
+
+variable nsteps index 100
+variable nrep equal 4
+variable a equal 3.316
+units           metal
+
+# generate the box and atom positions using a BCC lattice
+
+variable nx equal ${nrep}
+variable nx equal 4
+variable ny equal ${nrep}
+variable ny equal 4
+variable nz equal ${nrep}
+variable nz equal 4
+
+boundary        p p p
+
+lattice         bcc $a
+lattice         bcc 3.316
+Lattice spacing in x,y,z = 3.3160000 3.3160000 3.3160000
+region          box block 0 ${nx} 0 ${ny} 0 ${nz}
+region          box block 0 4 0 ${ny} 0 ${nz}
+region          box block 0 4 0 4 0 ${nz}
+region          box block 0 4 0 4 0 4
+create_box      1 box
+Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (13.264000 13.264000 13.264000)
+  1 by 1 by 1 MPI processor grid
+create_atoms    1 box
+Created 128 atoms
+  create_atoms CPU = 0.000 seconds
+
+mass 1 180.88
+
+# choose potential
+
+include Ta06A.nn.mliap
+# DATE: 2014-09-05 UNITS: metal CONTRIBUTOR: Aidan Thompson athomps@sandia.gov CITATION: Thompson, Swiler, Trott, Foiles and Tucker, arxiv.org, 1409.3880 (2014)
+
+# Definition of SNAP potential Ta_Cand06A
+# Assumes 1 LAMMPS atom type
+
+variable zblcutinner equal 4
+variable zblcutouter equal 4.8
+variable zblz equal 73
+
+# Specify hybrid with SNAP, ZBL
+
+pair_style hybrid/overlay zbl ${zblcutinner} ${zblcutouter} mliap model nn Ta06A.nn.mliap.model descriptor sna Ta06A.mliap.descriptor
+pair_style hybrid/overlay zbl 4 ${zblcutouter} mliap model nn Ta06A.nn.mliap.model descriptor sna Ta06A.mliap.descriptor
+pair_style hybrid/overlay zbl 4 4.8 mliap model nn Ta06A.nn.mliap.model descriptor sna Ta06A.mliap.descriptor
+Reading potential file Ta06A.nn.mliap.model with DATE: 2021-03-03
+Reading potential file Ta06A.mliap.descriptor with DATE: 2014-09-05
+SNAP keyword rcutfac 4.67637 
+SNAP keyword twojmax 6 
+SNAP keyword nelems 1 
+SNAP keyword elems Ta 
+SNAP keyword radelems 0.5 
+SNAP keyword welems 1 
+SNAP keyword rfac0 0.99363 
+SNAP keyword rmin0 0 
+SNAP keyword bzeroflag 0 
+pair_coeff 1 1 zbl ${zblz} ${zblz}
+pair_coeff 1 1 zbl 73 ${zblz}
+pair_coeff 1 1 zbl 73 73
+pair_coeff * * mliap Ta
+
+
+# Setup output
+
+compute  eatom all pe/atom
+compute  energy all reduce sum c_eatom
+
+compute  satom all stress/atom NULL
+compute  str all reduce sum c_satom[1] c_satom[2] c_satom[3]
+variable press equal (c_str[1]+c_str[2]+c_str[3])/(3*vol)
+
+thermo_style    custom step temp epair c_energy etotal press v_press
+thermo          10
+thermo_modify norm yes
+
+# Set up NVE run
+
+timestep 0.5e-3
+neighbor 1.0 bin
+neigh_modify once no every 1 delay 0 check yes
+
+# Run MD
+
+velocity all create 300.0 4928459 loop geom
+fix 1 all nve
+run             ${nsteps}
+run             100
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.8
+  ghost atom cutoff = 5.8
+  binsize = 2.9, bins = 5 5 5
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair zbl, perpetual, half/full from (2)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (2) pair mliap, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 18.15 | 18.15 | 18.15 Mbytes
+Step Temp E_pair c_energy TotEng Press v_press 
+       0          300    -11.85157    -11.85157   -11.813095    2717.1661   -2717.1661 
+      10    296.01467   -11.851059   -11.851059   -11.813095    2697.4796   -2697.4796 
+      20    284.53666   -11.849587   -11.849587   -11.813095    2289.1527   -2289.1527 
+      30    266.51577   -11.847275   -11.847275   -11.813095    1851.7131   -1851.7131 
+      40    243.05007   -11.844266   -11.844266   -11.813095     1570.684    -1570.684 
+      50    215.51032   -11.840734   -11.840734   -11.813094    1468.1899   -1468.1899 
+      60    185.48331   -11.836883   -11.836883   -11.813094    1524.8757   -1524.8757 
+      70     154.6736   -11.832931   -11.832931   -11.813094    1698.3351   -1698.3351 
+      80    124.79303   -11.829099   -11.829099   -11.813094    1947.0715   -1947.0715 
+      90    97.448054   -11.825592   -11.825592   -11.813094    2231.9563   -2231.9563 
+     100    74.035418   -11.822589   -11.822589   -11.813094    2515.8526   -2515.8526 
+Loop time of 1.46158 on 1 procs for 100 steps with 128 atoms
+
+Performance: 2.956 ns/day, 8.120 hours/ns, 68.419 timesteps/s
+99.9% CPU use with 1 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.4607     | 1.4607     | 1.4607     |   0.0 | 99.94
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.00028086 | 0.00028086 | 0.00028086 |   0.0 |  0.02
+Output  | 0.00035334 | 0.00035334 | 0.00035334 |   0.0 |  0.02
+Modify  | 0.00011992 | 0.00011992 | 0.00011992 |   0.0 |  0.01
+Other   |            | 0.0001502  |            |       |  0.01
+
+Nlocal:        128.000 ave         128 max         128 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:        727.000 ave         727 max         727 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:        3712.00 ave        3712 max        3712 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:      7424.00 ave        7424 max        7424 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 7424
+Ave neighs/atom = 58.000000
+Neighbor list builds = 0
+Dangerous builds = 0
+
+Total wall time: 0:00:01
diff --git a/examples/mliap/log.14Jun21.mliap.nn.Ta06A.g++.4 b/examples/mliap/log.14Jun21.mliap.nn.Ta06A.g++.4
new file mode 100644
index 0000000000..eb03f14da5
--- /dev/null
+++ b/examples/mliap/log.14Jun21.mliap.nn.Ta06A.g++.4
@@ -0,0 +1,156 @@
+LAMMPS (27 May 2021)
+# Demonstrate MLIAP interface to linear SNAP potential
+
+# Initialize simulation
+
+variable nsteps index 100
+variable nrep equal 4
+variable a equal 3.316
+units           metal
+
+# generate the box and atom positions using a BCC lattice
+
+variable nx equal ${nrep}
+variable nx equal 4
+variable ny equal ${nrep}
+variable ny equal 4
+variable nz equal ${nrep}
+variable nz equal 4
+
+boundary        p p p
+
+lattice         bcc $a
+lattice         bcc 3.316
+Lattice spacing in x,y,z = 3.3160000 3.3160000 3.3160000
+region          box block 0 ${nx} 0 ${ny} 0 ${nz}
+region          box block 0 4 0 ${ny} 0 ${nz}
+region          box block 0 4 0 4 0 ${nz}
+region          box block 0 4 0 4 0 4
+create_box      1 box
+Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (13.264000 13.264000 13.264000)
+  1 by 2 by 2 MPI processor grid
+create_atoms    1 box
+Created 128 atoms
+  create_atoms CPU = 0.001 seconds
+
+mass 1 180.88
+
+# choose potential
+
+include Ta06A.nn.mliap
+# DATE: 2014-09-05 UNITS: metal CONTRIBUTOR: Aidan Thompson athomps@sandia.gov CITATION: Thompson, Swiler, Trott, Foiles and Tucker, arxiv.org, 1409.3880 (2014)
+
+# Definition of SNAP potential Ta_Cand06A
+# Assumes 1 LAMMPS atom type
+
+variable zblcutinner equal 4
+variable zblcutouter equal 4.8
+variable zblz equal 73
+
+# Specify hybrid with SNAP, ZBL
+
+pair_style hybrid/overlay zbl ${zblcutinner} ${zblcutouter} mliap model nn Ta06A.nn.mliap.model descriptor sna Ta06A.mliap.descriptor
+pair_style hybrid/overlay zbl 4 ${zblcutouter} mliap model nn Ta06A.nn.mliap.model descriptor sna Ta06A.mliap.descriptor
+pair_style hybrid/overlay zbl 4 4.8 mliap model nn Ta06A.nn.mliap.model descriptor sna Ta06A.mliap.descriptor
+Reading potential file Ta06A.nn.mliap.model with DATE: 2021-03-03
+Reading potential file Ta06A.mliap.descriptor with DATE: 2014-09-05
+SNAP keyword rcutfac 4.67637 
+SNAP keyword twojmax 6 
+SNAP keyword nelems 1 
+SNAP keyword elems Ta 
+SNAP keyword radelems 0.5 
+SNAP keyword welems 1 
+SNAP keyword rfac0 0.99363 
+SNAP keyword rmin0 0 
+SNAP keyword bzeroflag 0 
+pair_coeff 1 1 zbl ${zblz} ${zblz}
+pair_coeff 1 1 zbl 73 ${zblz}
+pair_coeff 1 1 zbl 73 73
+pair_coeff * * mliap Ta
+
+
+# Setup output
+
+compute  eatom all pe/atom
+compute  energy all reduce sum c_eatom
+
+compute  satom all stress/atom NULL
+compute  str all reduce sum c_satom[1] c_satom[2] c_satom[3]
+variable press equal (c_str[1]+c_str[2]+c_str[3])/(3*vol)
+
+thermo_style    custom step temp epair c_energy etotal press v_press
+thermo          10
+thermo_modify norm yes
+
+# Set up NVE run
+
+timestep 0.5e-3
+neighbor 1.0 bin
+neigh_modify once no every 1 delay 0 check yes
+
+# Run MD
+
+velocity all create 300.0 4928459 loop geom
+fix 1 all nve
+run             ${nsteps}
+run             100
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.8
+  ghost atom cutoff = 5.8
+  binsize = 2.9, bins = 5 5 5
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair zbl, perpetual, half/full from (2)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (2) pair mliap, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 18.06 | 18.06 | 18.06 Mbytes
+Step Temp E_pair c_energy TotEng Press v_press 
+       0          300    -11.85157    -11.85157   -11.813095    2717.1661   -2717.1661 
+      10    296.01467   -11.851059   -11.851059   -11.813095    2697.4796   -2697.4796 
+      20    284.53666   -11.849587   -11.849587   -11.813095    2289.1527   -2289.1527 
+      30    266.51577   -11.847275   -11.847275   -11.813095    1851.7131   -1851.7131 
+      40    243.05007   -11.844266   -11.844266   -11.813095     1570.684    -1570.684 
+      50    215.51032   -11.840734   -11.840734   -11.813094    1468.1899   -1468.1899 
+      60    185.48331   -11.836883   -11.836883   -11.813094    1524.8757   -1524.8757 
+      70     154.6736   -11.832931   -11.832931   -11.813094    1698.3351   -1698.3351 
+      80    124.79303   -11.829099   -11.829099   -11.813094    1947.0715   -1947.0715 
+      90    97.448054   -11.825592   -11.825592   -11.813094    2231.9563   -2231.9563 
+     100    74.035418   -11.822589   -11.822589   -11.813094    2515.8526   -2515.8526 
+Loop time of 0.466162 on 4 procs for 100 steps with 128 atoms
+
+Performance: 9.267 ns/day, 2.590 hours/ns, 214.518 timesteps/s
+99.5% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.36478    | 0.41101    | 0.45575    |   6.9 | 88.17
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.0095217  | 0.054209   | 0.10046    |  19.0 | 11.63
+Output  | 0.00042248 | 0.00045168 | 0.00051188 |   0.0 |  0.10
+Modify  | 5.4359e-05 | 6.0737e-05 | 6.5088e-05 |   0.0 |  0.01
+Other   |            | 0.0004352  |            |       |  0.09
+
+Nlocal:        32.0000 ave          32 max          32 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Nghost:        431.000 ave         431 max         431 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Neighs:        928.000 ave         928 max         928 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+FullNghs:      1856.00 ave        1856 max        1856 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 7424
+Ave neighs/atom = 58.000000
+Neighbor list builds = 0
+Dangerous builds = 0
+
+Total wall time: 0:00:00
diff --git a/examples/mliap/log.14Jun21.mliap.so3.Ni_Mo.g++.1 b/examples/mliap/log.14Jun21.mliap.so3.Ni_Mo.g++.1
new file mode 100644
index 0000000000..057732ec8c
--- /dev/null
+++ b/examples/mliap/log.14Jun21.mliap.so3.Ni_Mo.g++.1
@@ -0,0 +1,88 @@
+LAMMPS (27 May 2021)
+# ---------- Initialize Simulation ---------------------
+clear
+units metal
+dimension 3
+boundary p p p
+atom_style atomic
+read_data Ni_Mo.data
+Reading data file ...
+  orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.7209005 5.7209005 3.5556620)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  10 atoms
+  read_data CPU = 0.000 seconds
+
+#change_box all x scale 0.9 y scale 0.9 z scale 0.9
+
+pair_style mliap model linear Ni_Mo.mliap.model descriptor so3 Ni_Mo.mliap.descriptor
+Reading potential file Ni_Mo.mliap.descriptor with DATE: 2014-09-05
+SO3 keyword rcutfac 4.1 
+SO3 keyword nmax 3 
+SO3 keyword lmax 2 
+SO3 keyword alpha 2.0 
+SO3 keyword nelems 2 
+SO3 keyword elems Mo 
+SO3 keyword radelems 0.5 
+SO3 keyword welems 42 
+pair_coeff * * Mo Ni
+
+variable        e equal pe
+variable N equal count(all)
+
+thermo_style custom pe pxx pyy pzz pxy pxz pyz
+thermo 1
+
+# dump 1 all custom 1 dump.myforce.* id type fx fy fz
+
+velocity all create 300.0 4928459 loop geom
+fix 1 all nve
+
+run             3
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6.1
+  ghost atom cutoff = 6.1
+  binsize = 3.05, bins = 2 2 2
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair mliap, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 17.22 | 17.22 | 17.22 Mbytes
+PotEng Pxx Pyy Pzz Pxy Pxz Pyz 
+  -60.509577   -38.702887   -342.91582    1831.0743   -819.59439    427.87407    446.40498 
+  -60.509344   -29.050171   -342.67124    1839.4215   -832.92479    439.72661    448.55829 
+  -60.509056   -9.4119072   -335.83361    1856.2802   -846.04664     451.4663    450.35456 
+  -60.508714    20.205972   -322.43019       1881.6   -858.97774    463.10122    451.79916 
+Loop time of 0.00634885 on 1 procs for 3 steps with 10 atoms
+
+Performance: 40.826 ns/day, 0.588 hours/ns, 472.527 timesteps/s
+78.5% CPU use with 1 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.0063019  | 0.0063019  | 0.0063019  |   0.0 | 99.26
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 7.6294e-06 | 7.6294e-06 | 7.6294e-06 |   0.0 |  0.12
+Output  | 3.4094e-05 | 3.4094e-05 | 3.4094e-05 |   0.0 |  0.54
+Modify  | 2.1458e-06 | 2.1458e-06 | 2.1458e-06 |   0.0 |  0.03
+Other   |            | 3.099e-06  |            |       |  0.05
+
+Nlocal:        10.0000 ave          10 max          10 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:        423.000 ave         423 max         423 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:         0.00000 ave           0 max           0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:      780.000 ave         780 max         780 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 780
+Ave neighs/atom = 78.000000
+Neighbor list builds = 0
+Dangerous builds = 0
+Total wall time: 0:00:00
diff --git a/examples/mliap/log.14Jun21.mliap.so3.Ni_Mo.g++.4 b/examples/mliap/log.14Jun21.mliap.so3.Ni_Mo.g++.4
new file mode 100644
index 0000000000..a7da331482
--- /dev/null
+++ b/examples/mliap/log.14Jun21.mliap.so3.Ni_Mo.g++.4
@@ -0,0 +1,88 @@
+LAMMPS (27 May 2021)
+# ---------- Initialize Simulation ---------------------
+clear
+units metal
+dimension 3
+boundary p p p
+atom_style atomic
+read_data Ni_Mo.data
+Reading data file ...
+  orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.7209005 5.7209005 3.5556620)
+  2 by 2 by 1 MPI processor grid
+  reading atoms ...
+  10 atoms
+  read_data CPU = 0.000 seconds
+
+#change_box all x scale 0.9 y scale 0.9 z scale 0.9
+
+pair_style mliap model linear Ni_Mo.mliap.model descriptor so3 Ni_Mo.mliap.descriptor
+Reading potential file Ni_Mo.mliap.descriptor with DATE: 2014-09-05
+SO3 keyword rcutfac 4.1 
+SO3 keyword nmax 3 
+SO3 keyword lmax 2 
+SO3 keyword alpha 2.0 
+SO3 keyword nelems 2 
+SO3 keyword elems Mo 
+SO3 keyword radelems 0.5 
+SO3 keyword welems 42 
+pair_coeff * * Mo Ni
+
+variable        e equal pe
+variable N equal count(all)
+
+thermo_style custom pe pxx pyy pzz pxy pxz pyz
+thermo 1
+
+# dump 1 all custom 1 dump.myforce.* id type fx fy fz
+
+velocity all create 300.0 4928459 loop geom
+fix 1 all nve
+
+run             3
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6.1
+  ghost atom cutoff = 6.1
+  binsize = 3.05, bins = 2 2 2
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair mliap, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 17.23 | 17.23 | 17.23 Mbytes
+PotEng Pxx Pyy Pzz Pxy Pxz Pyz 
+  -60.509577   -38.702887   -342.91582    1831.0743   -819.59439    427.87407    446.40498 
+  -60.509344   -29.050171   -342.67124    1839.4215   -832.92479    439.72661    448.55829 
+  -60.509056   -9.4119072   -335.83361    1856.2802   -846.04664     451.4663    450.35456 
+  -60.508714    20.205972   -322.43019       1881.6   -858.97774    463.10122    451.79916 
+Loop time of 0.00191921 on 4 procs for 3 steps with 10 atoms
+
+Performance: 135.056 ns/day, 0.178 hours/ns, 1563.143 timesteps/s
+100.0% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.0012183  | 0.0015162  | 0.0018141  |   0.8 | 79.00
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 5.3883e-05 | 0.00035822 | 0.00065947 |   0.0 | 18.67
+Output  | 3.4094e-05 | 3.8326e-05 | 4.6492e-05 |   0.0 |  2.00
+Modify  | 9.5367e-07 | 1.1325e-06 | 1.4305e-06 |   0.0 |  0.06
+Other   |            | 5.305e-06  |            |       |  0.28
+
+Nlocal:        2.50000 ave           3 max           2 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Nghost:        303.500 ave         304 max         303 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Neighs:         0.00000 ave           0 max           0 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+FullNghs:      195.000 ave         234 max         156 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+
+Total # of neighbors = 780
+Ave neighs/atom = 78.000000
+Neighbor list builds = 0
+Dangerous builds = 0
+Total wall time: 0:00:00
diff --git a/examples/mliap/log.14Jun21.mliap.so3.nn.Si.g++.1 b/examples/mliap/log.14Jun21.mliap.so3.nn.Si.g++.1
new file mode 100644
index 0000000000..0b67712e7e
--- /dev/null
+++ b/examples/mliap/log.14Jun21.mliap.so3.nn.Si.g++.1
@@ -0,0 +1,124 @@
+LAMMPS (27 May 2021)
+# Run NPT MD simulation for Si at 500 K.
+variable nsteps index 100 #0
+
+# NOTE: These are not intended to represent real materials
+
+units           metal
+
+atom_style      atomic
+atom_modify     map array
+boundary        p p p
+atom_modify     sort 0 0.0
+
+#read_data Si.data
+lattice         diamond 5.43
+Lattice spacing in x,y,z = 5.4300000 5.4300000 5.4300000
+region          box block 0 2 0 2 0 2
+create_box      1 box
+Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (10.860000 10.860000 10.860000)
+  1 by 1 by 1 MPI processor grid
+create_atoms    1 box
+Created 64 atoms
+  create_atoms CPU = 0.000 seconds
+mass            1 29.0
+
+# temperature
+variable t equal 500.
+
+
+# Potential
+#pair_style mliap model nn Si-snap/NN_weights.txt descriptor sna Si-snap/DescriptorParam.txt
+pair_style mliap model nn Si.nn.mliap.model descriptor so3 Si.nn.mliap.descriptor
+SO3 keyword rcutfac 5.0 
+SO3 keyword nmax 3 
+SO3 keyword lmax 4 
+SO3 keyword alpha 2.0 
+SO3 keyword nelems 1 
+SO3 keyword elems Si 
+SO3 keyword radelems 0.5 
+SO3 keyword welems 14 
+pair_coeff * * Si Si
+
+# Set-up output
+
+compute  eatom all pe/atom
+compute  energy all reduce sum c_eatom
+
+compute  satom all stress/atom NULL
+compute  str all reduce sum c_satom[1] c_satom[2] c_satom[3]
+variable press equal (c_str[1]+c_str[2]+c_str[3])/(3*vol)
+
+thermo_style    custom step temp epair c_energy etotal press v_press
+thermo          10
+thermo_modify norm yes
+
+# Set up NVE run
+
+timestep 0.5e-3
+neighbor 1.0 bin
+neigh_modify once no every 1 delay 0 check yes
+
+# Run MD
+
+velocity all create $t 5287287 loop geom
+velocity all create 500 5287287 loop geom
+fix 1 all npt temp ${t} ${t} 0.2 iso 0.0 0.0 2
+fix 1 all npt temp 500 ${t} 0.2 iso 0.0 0.0 2
+fix 1 all npt temp 500 500 0.2 iso 0.0 0.0 2
+run ${nsteps}
+run 100
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6
+  ghost atom cutoff = 6
+  binsize = 3, bins = 4 4 4
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair mliap, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 298.3 | 298.3 | 298.3 Mbytes
+Step Temp E_pair c_energy TotEng Press v_press 
+       0          500   -3.8376374   -3.8376374   -3.7740172   -7295.2456    7295.2456 
+      10       489.81   -3.8363423   -3.8363423   -3.7740187   -6964.5624    6964.5624 
+      20    460.24523   -3.8325828   -3.8325828    -3.774021   -6014.7165    6014.7165 
+      30     414.4367    -3.826752    -3.826752   -3.7740189   -4572.0641    4572.0641 
+      40    358.34511   -3.8196022   -3.8196022   -3.7740062   -2849.9177    2849.9177 
+      50    300.80447   -3.8122536   -3.8122536   -3.7739791   -1128.7008    1128.7008 
+      60     251.6276   -3.8059543   -3.8059543   -3.7739371    306.20639   -306.20639 
+      70    218.02888   -3.8016236   -3.8016236   -3.7738815    1253.4391   -1253.4391 
+      80    201.70095   -3.7994767   -3.7994767   -3.7738122    1661.6675   -1661.6675 
+      90    198.91416   -3.7990366   -3.7990366   -3.7737266      1628.78     -1628.78 
+     100    203.36197    -3.799497    -3.799497   -3.7736212    1338.0458   -1338.0458 
+Loop time of 3.39264 on 1 procs for 100 steps with 64 atoms
+
+Performance: 1.273 ns/day, 18.848 hours/ns, 29.476 timesteps/s
+99.9% CPU use with 1 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 3.391      | 3.391      | 3.391      |   0.0 | 99.95
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.00029302 | 0.00029302 | 0.00029302 |   0.0 |  0.01
+Output  | 0.00039387 | 0.00039387 | 0.00039387 |   0.0 |  0.01
+Modify  | 0.00074792 | 0.00074792 | 0.00074792 |   0.0 |  0.02
+Other   |            | 0.0002153  |            |       |  0.01
+
+Nlocal:        64.0000 ave          64 max          64 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:        557.000 ave         557 max         557 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:         0.00000 ave           0 max           0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:      2944.00 ave        2944 max        2944 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 2944
+Ave neighs/atom = 46.000000
+Neighbor list builds = 0
+Dangerous builds = 0
+Total wall time: 0:00:03
diff --git a/examples/mliap/log.14Jun21.mliap.so3.nn.Si.g++.4 b/examples/mliap/log.14Jun21.mliap.so3.nn.Si.g++.4
new file mode 100644
index 0000000000..7cde39a04e
--- /dev/null
+++ b/examples/mliap/log.14Jun21.mliap.so3.nn.Si.g++.4
@@ -0,0 +1,124 @@
+LAMMPS (27 May 2021)
+# Run NPT MD simulation for Si at 500 K.
+variable nsteps index 100 #0
+
+# NOTE: These are not intended to represent real materials
+
+units           metal
+
+atom_style      atomic
+atom_modify     map array
+boundary        p p p
+atom_modify     sort 0 0.0
+
+#read_data Si.data
+lattice         diamond 5.43
+Lattice spacing in x,y,z = 5.4300000 5.4300000 5.4300000
+region          box block 0 2 0 2 0 2
+create_box      1 box
+Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (10.860000 10.860000 10.860000)
+  1 by 2 by 2 MPI processor grid
+create_atoms    1 box
+Created 64 atoms
+  create_atoms CPU = 0.000 seconds
+mass            1 29.0
+
+# temperature
+variable t equal 500.
+
+
+# Potential
+#pair_style mliap model nn Si-snap/NN_weights.txt descriptor sna Si-snap/DescriptorParam.txt
+pair_style mliap model nn Si.nn.mliap.model descriptor so3 Si.nn.mliap.descriptor
+SO3 keyword rcutfac 5.0 
+SO3 keyword nmax 3 
+SO3 keyword lmax 4 
+SO3 keyword alpha 2.0 
+SO3 keyword nelems 1 
+SO3 keyword elems Si 
+SO3 keyword radelems 0.5 
+SO3 keyword welems 14 
+pair_coeff * * Si Si
+
+# Set-up output
+
+compute  eatom all pe/atom
+compute  energy all reduce sum c_eatom
+
+compute  satom all stress/atom NULL
+compute  str all reduce sum c_satom[1] c_satom[2] c_satom[3]
+variable press equal (c_str[1]+c_str[2]+c_str[3])/(3*vol)
+
+thermo_style    custom step temp epair c_energy etotal press v_press
+thermo          10
+thermo_modify norm yes
+
+# Set up NVE run
+
+timestep 0.5e-3
+neighbor 1.0 bin
+neigh_modify once no every 1 delay 0 check yes
+
+# Run MD
+
+velocity all create $t 5287287 loop geom
+velocity all create 500 5287287 loop geom
+fix 1 all npt temp ${t} ${t} 0.2 iso 0.0 0.0 2
+fix 1 all npt temp 500 ${t} 0.2 iso 0.0 0.0 2
+fix 1 all npt temp 500 500 0.2 iso 0.0 0.0 2
+run ${nsteps}
+run 100
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6
+  ghost atom cutoff = 6
+  binsize = 3, bins = 4 4 4
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair mliap, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 298.2 | 298.2 | 298.2 Mbytes
+Step Temp E_pair c_energy TotEng Press v_press 
+       0          500   -3.8376374   -3.8376374   -3.7740172   -7295.2456    7295.2456 
+      10       489.81   -3.8363423   -3.8363423   -3.7740187   -6964.5624    6964.5624 
+      20    460.24523   -3.8325828   -3.8325828    -3.774021   -6014.7165    6014.7165 
+      30     414.4367    -3.826752    -3.826752   -3.7740189   -4572.0641    4572.0641 
+      40    358.34511   -3.8196022   -3.8196022   -3.7740062   -2849.9177    2849.9177 
+      50    300.80447   -3.8122536   -3.8122536   -3.7739791   -1128.7008    1128.7008 
+      60     251.6276   -3.8059543   -3.8059543   -3.7739371    306.20639   -306.20639 
+      70    218.02888   -3.8016236   -3.8016236   -3.7738815    1253.4391   -1253.4391 
+      80    201.70095   -3.7994767   -3.7994767   -3.7738122    1661.6675   -1661.6675 
+      90    198.91416   -3.7990366   -3.7990366   -3.7737266      1628.78     -1628.78 
+     100    203.36197    -3.799497    -3.799497   -3.7736212    1338.0458   -1338.0458 
+Loop time of 1.06231 on 4 procs for 100 steps with 64 atoms
+
+Performance: 4.067 ns/day, 5.902 hours/ns, 94.135 timesteps/s
+95.4% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.97395    | 1.0072     | 1.048      |   2.7 | 94.81
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.012069   | 0.052803   | 0.086037   |  12.0 |  4.97
+Output  | 0.00052595 | 0.0005523  | 0.00062776 |   0.0 |  0.05
+Modify  | 0.0014014  | 0.001442   | 0.0014772  |   0.1 |  0.14
+Other   |            | 0.0003045  |            |       |  0.03
+
+Nlocal:        16.0000 ave          16 max          16 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Nghost:        349.000 ave         349 max         349 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Neighs:         0.00000 ave           0 max           0 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+FullNghs:      736.000 ave         736 max         736 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 2944
+Ave neighs/atom = 46.000000
+Neighbor list builds = 0
+Dangerous builds = 0
+Total wall time: 0:00:01