LAMMPS (23 Jun 2022)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 2.65344 2.65344 2.65344
Created orthogonal box = (0 0 0) to (2.65344 2.65344 2.65344)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.65344 2.65344 2.65344)
  create_atoms CPU = 0.001 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXw5Z6n6/BN.extep with DATE: 2017-11-28

CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE

Your simulation uses code contributions which should be cited:
- OpenKIM: https://doi.org/10.1007/s11837-011-0102-6
- OpenKIM potential: https://openkim.org/cite/SM_692329995993_001#item-citation
The log file lists these citations in BibTeX format.

CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.957 | 4.957 | 4.957 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.65344        0              2.65344        0              2.65344        0              0              0              0              0              0              0              0              0            
Loop time of 1.2388e-05 on 1 procs for 0 steps with 1 atoms

193.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.239e-05  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:             63 ave          63 max          63 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           18 ave          18 max          18 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 18
Ave neighs/atom = 18
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 2.47565 2.47565 2.47565
Created orthogonal box = (0 0 0) to (2.47565 2.47565 2.47565)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.47565 2.47565 2.47565)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXvCGOO2/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.957 | 4.957 | 4.957 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.47565        0              2.47565        0              2.47565        0              0              0              0              0              0              0              0              0            
Loop time of 6.425e-06 on 1 procs for 0 steps with 1 atoms

186.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.425e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:             63 ave          63 max          63 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           18 ave          18 max          18 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 18
Ave neighs/atom = 18
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 2.365462 2.365462 2.365462
Created orthogonal box = (0 0 0) to (2.365462 2.365462 2.365462)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.365462 2.365462 2.365462)
  create_atoms CPU = 0.001 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX6owh74/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.957 | 4.957 | 4.957 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.365462       0              2.365462       0              2.365462       0              0              0              0              0              0              0              0              0            
Loop time of 6.364e-06 on 1 procs for 0 steps with 1 atoms

94.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.364e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:             63 ave          63 max          63 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           26 ave          26 max          26 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 26
Ave neighs/atom = 26
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 2.285405 2.285405 2.285405
Created orthogonal box = (0 0 0) to (2.285405 2.285405 2.285405)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.285405 2.285405 2.285405)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX8jo3g2/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.957 | 4.957 | 4.957 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.285405       0              2.285405       0              2.285405       0              0              0              0              0              0              0              0              0            
Loop time of 6.706e-06 on 1 procs for 0 steps with 1 atoms

193.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.706e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:             63 ave          63 max          63 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           26 ave          26 max          26 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 26
Ave neighs/atom = 26
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 2.22249 2.22249 2.22249
Created orthogonal box = (0 0 0) to (2.22249 2.22249 2.22249)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.22249 2.22249 2.22249)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXezgYU4/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.957 | 4.957 | 4.957 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.22249        0              2.22249        0              2.22249        0              0              0              0              0              0              0              0              0            
Loop time of 6.546e-06 on 1 procs for 0 steps with 1 atoms

198.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.546e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:             63 ave          63 max          63 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           26 ave          26 max          26 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 26
Ave neighs/atom = 26
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 2.170655 2.170655 2.170655
Created orthogonal box = (0 0 0) to (2.170655 2.170655 2.170655)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.170655 2.170655 2.170655)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXT70S44/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.957 | 4.957 | 4.957 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.170655       0              2.170655       0              2.170655      -0.067613246   -531104.78     -531104.78     -531104.78     -531104.78     -531104.78      0              0              0            
Loop time of 5.994e-06 on 1 procs for 0 steps with 1 atoms

100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.994e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:             63 ave          63 max          63 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           26 ave          26 max          26 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 26
Ave neighs/atom = 26
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0676132455936285 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 2.126576 2.126576 2.126576
Created orthogonal box = (0 0 0) to (2.126576 2.126576 2.126576)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.126576 2.126576 2.126576)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXa7n413/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.957 | 4.957 | 4.957 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.126576       0              2.126576       0              2.126576      -0.43781552    -1427525.3     -1427525.3     -1427525.3     -1427525.3     -1427525.3      0              0              0            
Loop time of 7.969e-06 on 1 procs for 0 steps with 1 atoms

175.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.969e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:             63 ave          63 max          63 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           26 ave          26 max          26 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 26
Ave neighs/atom = 26
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.43781551767215 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 2.088231 2.088231 2.088231
Created orthogonal box = (0 0 0) to (2.088231 2.088231 2.088231)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.088231 2.088231 2.088231)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXTEt4q2/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.088231       0              2.088231       0              2.088231      -1.0149902     -2180700.4     -2180700.4     -2180700.4     -2180700.4     -2180700.4      0              0              0            
Loop time of 6.174e-06 on 1 procs for 0 steps with 1 atoms

0.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.174e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           32 ave          32 max          32 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 32
Ave neighs/atom = 32
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.01499023455179 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 2.054298 2.054298 2.054298
Created orthogonal box = (0 0 0) to (2.054298 2.054298 2.054298)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.054298 2.054298 2.054298)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX6CNQe4/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.054298       0              2.054298       0              2.054298      -1.6856511     -2713904.4     -2713904.4     -2713904.4     -2713904.4     -2713904.4      0              0              0            
Loop time of 6.525e-06 on 1 procs for 0 steps with 1 atoms

214.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.525e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           32 ave          32 max          32 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 32
Ave neighs/atom = 32
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.68565110504066 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 2.023867 2.023867 2.023867
Created orthogonal box = (0 0 0) to (2.023867 2.023867 2.023867)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.023867 2.023867 2.023867)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXuGfkG2/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.023867       0              2.023867       0              2.023867      -2.3679948     -3015695.8     -3015695.8     -3015695.8     -3015695.8     -3015695.8      0              0              0            
Loop time of 1.299e-05 on 1 procs for 0 steps with 1 atoms

69.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.299e-05  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           32 ave          32 max          32 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 32
Ave neighs/atom = 32
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.36799481274062 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.996281 1.996281 1.996281
Created orthogonal box = (0 0 0) to (1.996281 1.996281 1.996281)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.996281 1.996281 1.996281)
  create_atoms CPU = 0.001 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXGXlEW3/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.996281       0              1.996281       0              1.996281      -3.0104559     -3111880       -3111880       -3111880       -3111880       -3111880        0              0              0            
Loop time of 1.8653e-05 on 1 procs for 0 steps with 1 atoms

150.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.865e-05  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           32 ave          32 max          32 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 32
Ave neighs/atom = 32
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.01045593438337 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.971053 1.971053 1.971053
Created orthogonal box = (0 0 0) to (1.971053 1.971053 1.971053)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.971053 1.971053 1.971053)
  create_atoms CPU = 0.001 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX1qXbg5/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.971053       0              1.971053       0              1.971053      -3.5849032     -3044040.1     -3044040.1     -3044040.1     -3044040.1     -3044040.1      0              0              0            
Loop time of 6.395e-06 on 1 procs for 0 steps with 1 atoms

93.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.395e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           32 ave          32 max          32 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 32
Ave neighs/atom = 32
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.58490315107288 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.947813 1.947813 1.947813
Created orthogonal box = (0 0 0) to (1.947813 1.947813 1.947813)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.947813 1.947813 1.947813)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXUpsdx4/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.947813       0              1.947813       0              1.947813      -4.0794529     -2856365.5     -2856365.5     -2856365.5     -2856365.5     -2856365.5      0              0              0            
Loop time of 6.024e-06 on 1 procs for 0 steps with 1 atoms

0.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.024e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           32 ave          32 max          32 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 32
Ave neighs/atom = 32
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.07945291743019 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.926269 1.926269 1.926269
Created orthogonal box = (0 0 0) to (1.926269 1.926269 1.926269)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.926269 1.926269 1.926269)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXGcFhX4/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.926269       0              1.926269       0              1.926269      -4.4926491     -2588680.5     -2588680.5     -2588680.5     -2588680.5     -2588680.5      0              0              0            
Loop time of 6.374e-06 on 1 procs for 0 steps with 1 atoms

78.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.374e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           32 ave          32 max          32 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 32
Ave neighs/atom = 32
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.49264906720993 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.906191 1.906191 1.906191
Created orthogonal box = (0 0 0) to (1.906191 1.906191 1.906191)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.906191 1.906191 1.906191)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXSgqea6/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.906191       0              1.906191       0              1.906191      -4.8289729     -2273605       -2273605       -2273605       -2273605       -2273605        0              0              0            
Loop time of 6.585e-06 on 1 procs for 0 steps with 1 atoms

91.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.585e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           32 ave          32 max          32 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 32
Ave neighs/atom = 32
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.82897289567297 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.887391 1.887391 1.887391
Created orthogonal box = (0 0 0) to (1.887391 1.887391 1.887391)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.887391 1.887391 1.887391)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX5aZJL5/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.887391       0              1.887391       0              1.887391      -5.0959764     -1935948.5     -1935948.5     -1935948.5     -1935948.5     -1935948.5      0              0              0            
Loop time of 6.686e-06 on 1 procs for 0 steps with 1 atoms

89.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.686e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           32 ave          32 max          32 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 32
Ave neighs/atom = 32
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.09597639491337 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.869718 1.869718 1.869718
Created orthogonal box = (0 0 0) to (1.869718 1.869718 1.869718)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.869718 1.869718 1.869718)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXJj44b3/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.869718       0              1.869718       0              1.869718      -5.302302      -1593428.4     -1593428.4     -1593428.4     -1593428.4     -1593428.4      0              0              0            
Loop time of 6.344e-06 on 1 procs for 0 steps with 1 atoms

78.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.344e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           56 ave          56 max          56 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 56
Ave neighs/atom = 56
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.30230199798805 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.853043 1.853043 1.853043
Created orthogonal box = (0 0 0) to (1.853043 1.853043 1.853043)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.853043 1.853043 1.853043)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXCof8c3/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.853043       0              1.853043       0              1.853043      -5.456645      -1257662.7     -1257662.7     -1257662.7     -1257662.7     -1257662.7      0              0              0            
Loop time of 9.863e-06 on 1 procs for 0 steps with 1 atoms

202.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 9.863e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           56 ave          56 max          56 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 56
Ave neighs/atom = 56
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.45664501727238 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.837259 1.837259 1.837259
Created orthogonal box = (0 0 0) to (1.837259 1.837259 1.837259)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.837259 1.837259 1.837259)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXJ0X1U5/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.837259       0              1.837259       0              1.837259      -5.5670446     -935521.59     -935521.59     -935521.59     -935521.59     -935521.59      0              0              0            
Loop time of 6.575e-06 on 1 procs for 0 steps with 1 atoms

228.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.575e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           56 ave          56 max          56 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 56
Ave neighs/atom = 56
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.56704456024113 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.822277 1.822277 1.822277
Created orthogonal box = (0 0 0) to (1.822277 1.822277 1.822277)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.822277 1.822277 1.822277)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXbpBgJ2/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.822277       0              1.822277       0              1.822277      -5.6406013     -630314.9      -630314.9      -630314.9      -630314.9      -630314.9       0              0             -1.6739475e-12
Loop time of 5.914e-06 on 1 procs for 0 steps with 1 atoms

84.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.914e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           56 ave          56 max          56 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 56
Ave neighs/atom = 56
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.64060129630995 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.808018 1.808018 1.808018
Created orthogonal box = (0 0 0) to (1.808018 1.808018 1.808018)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.808018 1.808018 1.808018)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXQmOJe6/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.808018       0              1.808018       0              1.808018      -5.6834069     -342716.53     -342716.53     -342716.53     -342716.53     -342716.53      0              0              0            
Loop time of 1.2028e-05 on 1 procs for 0 steps with 1 atoms

158.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.203e-05  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           56 ave          56 max          56 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 56
Ave neighs/atom = 56
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.68340691452777 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.794417 1.794417 1.794417
Created orthogonal box = (0 0 0) to (1.794417 1.794417 1.794417)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.794417 1.794417 1.794417)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX5Tfad4/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.794417       0              1.794417       0              1.794417      -5.7019089     -152881.07     -152881.07     -152881.07     -152881.07     -152881.07      0              0              0            
Loop time of 6.726e-06 on 1 procs for 0 steps with 1 atoms

89.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.726e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           56 ave          56 max          56 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 56
Ave neighs/atom = 56
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.70190888599794 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.781414 1.781414 1.781414
Created orthogonal box = (0 0 0) to (1.781414 1.781414 1.781414)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.781414 1.781414 1.781414)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXJlnrD3/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.781414       0              1.781414       0              1.781414      -5.7109685     -78498.503     -78498.503     -78498.503     -78498.503     -78498.503      0              0              0            
Loop time of 6.796e-06 on 1 procs for 0 steps with 1 atoms

103.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.796e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           56 ave          56 max          56 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 56
Ave neighs/atom = 56
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.71096848781064 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.76896 1.76896 1.76896
Created orthogonal box = (0 0 0) to (1.76896 1.76896 1.76896)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.76896 1.76896 1.76896)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXAHarb6/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.76896        0              1.76896        0              1.76896       -5.7139045      4.7473096      4.7473096      4.7473096      4.7473096      4.7473096      0              0              0            
Loop time of 8.911e-06 on 1 procs for 0 steps with 1 atoms

179.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 8.911e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           56 ave          56 max          56 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 56
Ave neighs/atom = 56
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.71390452766008 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.75637 1.75637 1.75637
Created orthogonal box = (0 0 0) to (1.75637 1.75637 1.75637)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.75637 1.75637 1.75637)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXOwKGI3/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.75637        0              1.75637        0              1.75637       -5.71077        87144.945      87144.945      87144.945      87144.945      87144.945      0              0              0            
Loop time of 6.556e-06 on 1 procs for 0 steps with 1 atoms

91.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.556e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           56 ave          56 max          56 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 56
Ave neighs/atom = 56
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.71076999167709 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.743395 1.743395 1.743395
Created orthogonal box = (0 0 0) to (1.743395 1.743395 1.743395)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.743395 1.743395 1.743395)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX1E3HI2/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.743395       0              1.743395       0              1.743395      -5.7006852      185763.65      185763.65      185763.65      185763.65      185763.65      0              0              0            
Loop time of 1.709e-05 on 1 procs for 0 steps with 1 atoms

64.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.709e-05  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           56 ave          56 max          56 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 56
Ave neighs/atom = 56
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.70068521295569 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.730012 1.730012 1.730012
Created orthogonal box = (0 0 0) to (1.730012 1.730012 1.730012)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.730012 1.730012 1.730012)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX7rBa92/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.730012       0              1.730012       0              1.730012      -5.6824967      297592.09      297592.09      297592.09      297592.09      297592.09      0              0              0            
Loop time of 1.2248e-05 on 1 procs for 0 steps with 1 atoms

187.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.225e-05  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           56 ave          56 max          56 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 56
Ave neighs/atom = 56
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.68249673010727 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.716195 1.716195 1.716195
Created orthogonal box = (0 0 0) to (1.716195 1.716195 1.716195)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.716195 1.716195 1.716195)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXLex9n2/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.716195       0              1.716195       0              1.716195      -5.6548473      424686.11      424686.11      424686.11      424686.11      424686.11      0              0              0            
Loop time of 9.162e-06 on 1 procs for 0 steps with 1 atoms

0.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 9.162e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           56 ave          56 max          56 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 56
Ave neighs/atom = 56
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.65484732412018 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.701913 1.701913 1.701913
Created orthogonal box = (0 0 0) to (1.701913 1.701913 1.701913)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.701913 1.701913 1.701913)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXn0aw45/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.701913       0              1.701913       0              1.701913      -5.6161265      569518.4       569518.4       569518.4       569518.4       569518.4       0              0              0            
Loop time of 6.555e-06 on 1 procs for 0 steps with 1 atoms

259.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.555e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           80 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.6161264520355 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.687136 1.687136 1.687136
Created orthogonal box = (0 0 0) to (1.687136 1.687136 1.687136)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.687136 1.687136 1.687136)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX2oG9z2/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.687136       0              1.687136       0              1.687136      -5.5644328      735007.41      735007.41      735007.41      735007.41      735007.41      0              0              0            
Loop time of 5.994e-06 on 1 procs for 0 steps with 1 atoms

100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.994e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           80 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.56443276751422 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.671826 1.671826 1.671826
Created orthogonal box = (0 0 0) to (1.671826 1.671826 1.671826)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.671826 1.671826 1.671826)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXo0Bjm3/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.671826       0              1.671826       0              1.671826      -5.4974829      924722.76      924722.76      924722.76      924722.76      924722.76      0              0              0            
Loop time of 6.064e-06 on 1 procs for 0 steps with 1 atoms

247.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.064e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           80 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.49748293583283 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.655944 1.655944 1.655944
Created orthogonal box = (0 0 0) to (1.655944 1.655944 1.655944)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.655944 1.655944 1.655944)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXHp4Ds3/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.655944       0              1.655944       0              1.655944      -5.4125504      1142955.9      1142955.9      1142955.9      1142955.9      1142955.9      0              0              0            
Loop time of 1.292e-05 on 1 procs for 0 steps with 1 atoms

0.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.292e-05  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           80 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.41255038645846 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.639447 1.639447 1.639447
Created orthogonal box = (0 0 0) to (1.639447 1.639447 1.639447)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.639447 1.639447 1.639447)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXQxJoP6/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.639447       0              1.639447       0              1.639447      -5.3063558      1394933.9      1394933.9      1394933.9      1394933.9      1394933.9      0              0              0            
Loop time of 1.2579e-05 on 1 procs for 0 steps with 1 atoms

63.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.258e-05  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           80 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.30635582904427 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.622284 1.622284 1.622284
Created orthogonal box = (0 0 0) to (1.622284 1.622284 1.622284)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.622284 1.622284 1.622284)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXWxQ0p6/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.622284       0              1.622284       0              1.622284      -5.1749071      1687127.7      1687127.7      1687127.7      1687127.7      1687127.7      0              0              0            
Loop time of 1.3882e-05 on 1 procs for 0 steps with 1 atoms

187.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.388e-05  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           80 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.17490709901551 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.604399 1.604399 1.604399
Created orthogonal box = (0 0 0) to (1.604399 1.604399 1.604399)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.604399 1.604399 1.604399)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXlFkPk3/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.604399       0              1.604399       0              1.604399      -5.0133415      2027539.3      2027539.3      2027539.3      2027539.3      2027539.3      0              0              0            
Loop time of 1.0113e-05 on 1 procs for 0 steps with 1 atoms

217.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.011e-05  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           80 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.01334152549816 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.585729 1.585729 1.585729
Created orthogonal box = (0 0 0) to (1.585729 1.585729 1.585729)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.585729 1.585729 1.585729)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX5BIXk3/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.585729       0              1.585729       0              1.585729      -4.8156902      2426166.8      2426166.8      2426166.8      2426166.8      2426166.8      0              0              0            
Loop time of 1.0134e-05 on 1 procs for 0 steps with 1 atoms

167.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.013e-05  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           80 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.8156901857703 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.566201 1.566201 1.566201
Created orthogonal box = (0 0 0) to (1.566201 1.566201 1.566201)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.566201 1.566201 1.566201)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXe8j595/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.566201       0              1.566201       0              1.566201      -4.5745504      2895662.5      2895662.5      2895662.5      2895662.5      2895662.5      0              0              0            
Loop time of 9.742e-06 on 1 procs for 0 steps with 1 atoms

205.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 9.742e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           80 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.57455041346535 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.545734 1.545734 1.545734
Created orthogonal box = (0 0 0) to (1.545734 1.545734 1.545734)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.545734 1.545734 1.545734)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXetPjA6/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.545734       0              1.545734       0              1.545734      -4.2532586      4712714.8      4712714.8      4712714.8      4712714.8      4712714.8     -6.2123971e-16  9.6326616e-11 -3.8530646e-10
Loop time of 6.315e-06 on 1 procs for 0 steps with 1 atoms

205.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.315e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           80 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.2532585743151 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.524232 1.524232 1.524232
Created orthogonal box = (0 0 0) to (1.524232 1.524232 1.524232)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.524232 1.524232 1.524232)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXglE1k3/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.524232       0              1.524232       0              1.524232      -3.6239788      8749719.1      8749719.1      8749719.1      8749719.1      8749719.1      1.9860374e-14  0              1.2055316e-09
Loop time of 7.106e-06 on 1 procs for 0 steps with 1 atoms

70.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.106e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           80 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.62397876531694 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.501584 1.501584 1.501584
Created orthogonal box = (0 0 0) to (1.501584 1.501584 1.501584)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.501584 1.501584 1.501584)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXbANyf2/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.501584       0              1.501584       0              1.501584      -2.5179288      14318302       14318302       14318302       14318302       14318302       1.6812377e-09  1.6812089e-09  1.6812089e-09
Loop time of 6.234e-06 on 1 procs for 0 steps with 1 atoms

224.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.234e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           80 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.51792876286369 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.477663 1.477663 1.477663
Created orthogonal box = (0 0 0) to (1.477663 1.477663 1.477663)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.477663 1.477663 1.477663)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX7IYZB2/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.477663       0              1.477663       0              1.477663      -0.73357281     21935454       21935454       21935454       21935454       21935454      -1.7641064e-09 -1.764186e-09   5.292558e-09 
Loop time of 1.2549e-05 on 1 procs for 0 steps with 1 atoms

191.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.255e-05  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           92 ave          92 max          92 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 92
Ave neighs/atom = 92
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.733572807798857 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.452316 1.452316 1.452316
Created orthogonal box = (0 0 0) to (1.452316 1.452316 1.452316)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.452316 1.452316 1.452316)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXgiAUj3/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.452316       0              1.452316       0              1.452316       1.9920585      31948572       31948572       31948572       31948572       31948572       1.6471319e-13  0             -7.43271e-09  
Loop time of 1.2519e-05 on 1 procs for 0 steps with 1 atoms

63.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.252e-05  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           92 ave          92 max          92 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 92
Ave neighs/atom = 92
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 1.99205846071874 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.425362 1.425362 1.425362
Created orthogonal box = (0 0 0) to (1.425362 1.425362 1.425362)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.425362 1.425362 1.425362)
  create_atoms CPU = 0.001 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX8LhAV3/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.988 | 4.988 | 4.988 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.425362       0              1.425362       0              1.425362       5.9589065      44266554       44266554       44266554       44266554       44266554      -1.0260098e-12  3.931199e-09  -3.931199e-09 
Loop time of 1.2068e-05 on 1 procs for 0 steps with 1 atoms

165.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.207e-05  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           92 ave          92 max          92 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 92
Ave neighs/atom = 92
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 5.95890647318587 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.396584 1.396584 1.396584
Created orthogonal box = (0 0 0) to (1.396584 1.396584 1.396584)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.396584 1.396584 1.396584)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXVptIM4/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.024 | 5.024 | 5.024 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.396584       0              1.396584       0              1.396584       11.441244      57968752       57968752       57968752       57968752       57968752      -7.8373489e-12  0              0            
Loop time of 1.6338e-05 on 1 procs for 0 steps with 1 atoms

140.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.634e-05  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            511 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:          122 ave         122 max         122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 122
Ave neighs/atom = 122
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 11.4412439992925 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.365716 1.365716 1.365716
Created orthogonal box = (0 0 0) to (1.365716 1.365716 1.365716)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.365716 1.365716 1.365716)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX08YHW5/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.024 | 5.024 | 5.024 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.365716       0              1.365716       0              1.365716       18.567087      70804869       70804869       70804869       70804869       70804869      -8.9620274e-09 -8.9381855e-09 -1.7876371e-08
Loop time of 1.2739e-05 on 1 procs for 0 steps with 1 atoms

164.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.274e-05  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            511 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:          122 ave         122 max         122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 122
Ave neighs/atom = 122
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 18.5670871756776 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.332432 1.332432 1.332432
Created orthogonal box = (0 0 0) to (1.332432 1.332432 1.332432)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.332432 1.332432 1.332432)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX5W12G5/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.024 | 5.024 | 5.024 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.332432       0              1.332432       0              1.332432       27.12224       78744117       78744117       78744117       78744117       78744117       9.6123576e-09  4.8124408e-09 -9.6248816e-09
Loop time of 1.332e-05 on 1 procs for 0 steps with 1 atoms

157.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.332e-05  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            511 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:          122 ave         122 max         122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 122
Ave neighs/atom = 122
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 27.1222403091609 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.29632 1.29632 1.29632
Created orthogonal box = (0 0 0) to (1.29632 1.29632 1.29632)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.29632 1.29632 1.29632)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXV4bsu6/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.024 | 5.024 | 5.024 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.29632        0              1.29632        0              1.29632        36.296965      76026411       76026411       76026411       76026411       76026411      -1.5674493e-08 -1.5677801e-08  1.5677801e-08
Loop time of 1.288e-05 on 1 procs for 0 steps with 1 atoms

178.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.288e-05  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            511 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:          146 ave         146 max         146 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 146
Ave neighs/atom = 146
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 36.2969647809311 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.256856 1.256856 1.256856
Created orthogonal box = (0 0 0) to (1.256856 1.256856 1.256856)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.256856 1.256856 1.256856)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXBlqvL6/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.024 | 5.024 | 5.024 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.256856       0              1.256856       0              1.256856       45.086266      85430844       85430844       85430844       85430844       85430844      -9.8550017e-10  6.1817738e-09  4.3003644e-09
Loop time of 1.3702e-05 on 1 procs for 0 steps with 1 atoms

0.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.37e-05   |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            511 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:          170 ave         170 max         170 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 170
Ave neighs/atom = 170
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 45.0862660836302 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.213352 1.213352 1.213352
Created orthogonal box = (0 0 0) to (1.213352 1.213352 1.213352)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.213352 1.213352 1.213352)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXZkUe74/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.024 | 5.024 | 5.024 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.213352       0              1.213352       0              1.213352       59.966065      1.5814298e+08  1.5814298e+08  1.5814298e+08  1.5814298e+08  1.5814298e+08  2.3101923e-08 -2.867825e-08  -4.6203847e-08
Loop time of 1.297e-05 on 1 procs for 0 steps with 1 atoms

169.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.297e-05  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            511 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:          170 ave         170 max         170 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 170
Ave neighs/atom = 170
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 59.9660652974791 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.164887 1.164887 1.164887
Created orthogonal box = (0 0 0) to (1.164887 1.164887 1.164887)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.164887 1.164887 1.164887)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXpVtJN5/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.024 | 5.024 | 5.024 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.164887       0              1.164887       0              1.164887       86.243142      2.5344258e+08  2.5344258e+08  2.5344258e+08  2.5344258e+08  2.5344258e+08 -1.4403869e-08  0              1.4403869e-08
Loop time of 1.4674e-05 on 1 procs for 0 steps with 1 atoms

156.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.467e-05  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            511 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:          178 ave         178 max         178 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 178
Ave neighs/atom = 178
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 86.2431416222231 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.11018 1.11018 1.11018
Created orthogonal box = (0 0 0) to (1.11018 1.11018 1.11018)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.11018 1.11018 1.11018)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXOJqIJ2/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.024 | 5.024 | 5.024 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.11018        0              1.11018        0              1.11018        126.34674      3.4702829e+08  3.4702829e+08  3.4702829e+08  3.4702829e+08  3.4702829e+08 -2.495983e-08   4.9919659e-08 -2.495983e-08 
Loop time of 1.2369e-05 on 1 procs for 0 steps with 1 atoms

177.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.237e-05  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            511 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:          250 ave         250 max         250 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 250
Ave neighs/atom = 250
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 126.346735937005 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 1.047384 1.047384 1.047384
Created orthogonal box = (0 0 0) to (1.047384 1.047384 1.047384)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.047384 1.047384 1.047384)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXf46WF6/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.45 | 5.45 | 5.45 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.047384       0              1.047384       0              1.047384       184.01234      5.0844732e+08  5.0844732e+08  5.0844732e+08  5.0844732e+08  5.0844732e+08 -1.4861889e-08  1.9815852e-08  2.4769815e-08
Loop time of 8.78e-06 on 1 procs for 0 steps with 1 atoms

68.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 8.78e-06   |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            999 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:          256 ave         256 max         256 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 256
Ave neighs/atom = 256
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 184.012341522469 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 0.973684 0.973684 0.973684
Created orthogonal box = (0 0 0) to (0.973684 0.973684 0.973684)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (0.973684 0.973684 0.973684)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXz7d4X5/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.832 | 5.832 | 5.832 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              0.973684       0              0.973684       0              0.973684       279.88908      1.0302281e+09  1.0302281e+09  1.0302281e+09  1.0302281e+09  1.0302281e+09  1.2333742e-08  0             -3.9309422e-08
Loop time of 6.084e-06 on 1 procs for 0 steps with 1 atoms

82.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.084e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            999 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:          340 ave         340 max         340 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 340
Ave neighs/atom = 340
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 279.889084836097 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

# Using KIM Simulator Model : Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
# For Simulator             : LAMMPS 23 Jun 2022
# Running on                : LAMMPS 23 Jun 2022
#
Lattice spacing in x,y,z = 0.88448 0.88448 0.88448
Created orthogonal box = (0 0 0) to (0.88448 0.88448 0.88448)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (0.88448 0.88448 0.88448)
  create_atoms CPU = 0.000 seconds

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

Reading ExTeP potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXR1gSk2/BN.extep with DATE: 2017-11-28
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.2
  ghost atom cutoff = 4.2
  binsize = 2.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair extep, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.832 | 5.832 | 5.832 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              0.88448        0              0.88448        0              0.88448        578.55035      3.4308872e+09  3.4308872e+09  3.4308872e+09  3.4308872e+09  3.4308872e+09  4.2674125e-08 -1.2442335e-07 -8.2263373e-09
Loop time of 6.655e-06 on 1 procs for 0 steps with 1 atoms

225.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.655e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            999 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:          460 ave         460 max         460 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460
Ave neighs/atom = 460
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 578.550354728931 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task
Total wall time: 0:00:05