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 = 3.22575 3.22575 3.22575
Created orthogonal box = (0 0 0) to (3.22575 3.22575 3.22575)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (3.22575 3.22575 3.22575)
  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-XXXXXXf3xoKa/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           2   0              3.22575        0              3.22575        0              3.22575        0              0              0              0              0              0              0              0              0            
Loop time of 8.91e-06 on 1 procs for 0 steps with 2 atoms

168.4% 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   |            | 8.91e-06   |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:             89 ave          89 max          89 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:           28 ave          28 max          28 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 28
Ave neighs/atom = 14
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 = 3.009613 3.009613 3.009613
Created orthogonal box = (0 0 0) to (3.009613 3.009613 3.009613)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (3.009613 3.009613 3.009613)
  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-XXXXXXAfN789/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           2   0              3.009613       0              3.009613       0              3.009613       0              0              0              0              0              0              0              0              0            
Loop time of 6.344e-06 on 1 procs for 0 steps with 2 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:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:             89 ave          89 max          89 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:           28 ave          28 max          28 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 28
Ave neighs/atom = 14
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 = 2.87566 2.87566 2.87566
Created orthogonal box = (0 0 0) to (2.87566 2.87566 2.87566)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.87566 2.87566 2.87566)
  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-XXXXXXQHuMrb/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           2   0              2.87566        0              2.87566        0              2.87566        0              0              0              0              0              0              0              0              0            
Loop time of 4.5997e-05 on 1 procs for 0 steps with 2 atoms

28.3% 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   |            | 4.6e-05    |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:             89 ave          89 max          89 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:           52 ave          52 max          52 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 52
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 = 2.778336 2.778336 2.778336
Created orthogonal box = (0 0 0) to (2.778336 2.778336 2.778336)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.778336 2.778336 2.778336)
  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-XXXXXXaA7sU8/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) = 4.958 | 4.958 | 4.958 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           2   0              2.778336       0              2.778336       0              2.778336       0              0              0              0              0              0              0              0              0            
Loop time of 8.029e-06 on 1 procs for 0 steps with 2 atoms

236.6% 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   |            | 8.029e-06  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            187 ave         187 max         187 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:           52 ave          52 max          52 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 52
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 = 2.701851 2.701851 2.701851
Created orthogonal box = (0 0 0) to (2.701851 2.701851 2.701851)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.701851 2.701851 2.701851)
  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-XXXXXXDlWKm9/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) = 4.958 | 4.958 | 4.958 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           2   0              2.701851       0              2.701851       0              2.701851       0              0              0              0              0              0              0              0              0            
Loop time of 6.124e-06 on 1 procs for 0 steps with 2 atoms

98.0% 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   |            | 6.124e-06  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            187 ave         187 max         187 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:           52 ave          52 max          52 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 52
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 = 2.638836 2.638836 2.638836
Created orthogonal box = (0 0 0) to (2.638836 2.638836 2.638836)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.638836 2.638836 2.638836)
  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-XXXXXXSMLca8/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) = 4.958 | 4.958 | 4.958 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           2   0              2.638836       0              2.638836       0              2.638836       0              0              0              0              0              0              0              0              0            
Loop time of 6.555e-06 on 1 procs for 0 steps with 2 atoms

106.8% 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   |            | 6.555e-06  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            187 ave         187 max         187 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:           52 ave          52 max          52 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 52
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 = 2.585249 2.585249 2.585249
Created orthogonal box = (0 0 0) to (2.585249 2.585249 2.585249)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.585249 2.585249 2.585249)
  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-XXXXXXOrS56a/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) = 4.958 | 4.958 | 4.958 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           2   0              2.585249       0              2.585249       0              2.585249       0              0              0              0              0              0              0              0              0            
Loop time of 6.335e-06 on 1 procs for 0 steps with 2 atoms

94.7% 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   |            | 6.335e-06  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            187 ave         187 max         187 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:           52 ave          52 max          52 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 52
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 = 2.538633 2.538633 2.538633
Created orthogonal box = (0 0 0) to (2.538633 2.538633 2.538633)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.538633 2.538633 2.538633)
  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-XXXXXXtVWcB8/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) = 4.958 | 4.958 | 4.958 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           2   0              2.538633       0              2.538633       0              2.538633      -0.00044107156 -42844.901     -42844.901     -42844.901     -42844.901     -42844.901     -2.174457e-11  -2.174457e-11  -3.2616855e-11
Loop time of 6.686e-06 on 1 procs for 0 steps with 2 atoms

224.3% 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   |            | 6.686e-06  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            187 ave         187 max         187 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:           52 ave          52 max          52 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 52
Ave neighs/atom = 26
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.000220535779343933 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 = 2.497382 2.497382 2.497382
Created orthogonal box = (0 0 0) to (2.497382 2.497382 2.497382)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.497382 2.497382 2.497382)
  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-XXXXXXKHu5A9/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) = 4.958 | 4.958 | 4.958 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           2   0              2.497382       0              2.497382       0              2.497382      -0.29183364    -1183317.1     -1183317.1     -1183317.1     -1183317.1     -1183317.1      1.8271981e-10 -9.1359906e-10 -1.2790387e-09
Loop time of 6.646e-06 on 1 procs for 0 steps with 2 atoms

90.3% 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   |            | 6.646e-06  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            187 ave         187 max         187 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:          100 ave         100 max         100 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 100
Ave neighs/atom = 50
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.145916817647897 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 = 2.460386 2.460386 2.460386
Created orthogonal box = (0 0 0) to (2.460386 2.460386 2.460386)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.460386 2.460386 2.460386)
  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-XXXXXXMdREO7/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) = 4.958 | 4.958 | 4.958 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           2   0              2.460386       0              2.460386       0              2.460386      -1.0299675     -2291376.8     -2291376.8     -2291376.8     -2291376.8     -2291376.8     -9.5543431e-10  3.8217372e-10  7.6434745e-10
Loop time of 1.2589e-05 on 1 procs for 0 steps with 2 atoms

150.9% 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   |            | 1.259e-05  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            187 ave         187 max         187 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:          100 ave         100 max         100 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 100
Ave neighs/atom = 50
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.514983727314965 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 = 2.42685 2.42685 2.42685
Created orthogonal box = (0 0 0) to (2.42685 2.42685 2.42685)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.42685 2.42685 2.42685)
  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-XXXXXXoyUk6a/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) = 4.958 | 4.958 | 4.958 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           2   0              2.42685        0              2.42685        0              2.42685       -2.0693806     -3236610.7     -3236610.7     -3236610.7     -3236610.7     -3236610.7      2.78766e-09    2.3894229e-09  2.3894229e-09
Loop time of 1.6689e-05 on 1 procs for 0 steps with 2 atoms

65.9% 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   |            | 1.669e-05  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            187 ave         187 max         187 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:          100 ave         100 max         100 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 100
Ave neighs/atom = 50
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.03469028085554 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 = 2.396182 2.396182 2.396182
Created orthogonal box = (0 0 0) to (2.396182 2.396182 2.396182)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.396182 2.396182 2.396182)
  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-XXXXXXgxB9q8/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) = 4.958 | 4.958 | 4.958 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           2   0              2.396182       0              2.396182       0              2.396182      -3.2733416     -3943708       -3943708       -3943708       -3943708       -3943708       -4.1372443e-09  2.4823466e-09  3.3097954e-09
Loop time of 1.1958e-05 on 1 procs for 0 steps with 2 atoms

158.9% 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   |            | 1.196e-05  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            187 ave         187 max         187 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:          116 ave         116 max         116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116
Ave neighs/atom = 58
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.63667078838237 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 = 2.367929 2.367929 2.367929
Created orthogonal box = (0 0 0) to (2.367929 2.367929 2.367929)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.367929 2.367929 2.367929)
  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-XXXXXXWY0bK9/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) = 4.958 | 4.958 | 4.958 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           2   0              2.367929       0              2.367929       0              2.367929      -4.5291223     -4386547.8     -4386547.8     -4386547.8     -4386547.8     -4386547.8      2.5722655e-09 -3.4296873e-09  0            
Loop time of 1.3541e-05 on 1 procs for 0 steps with 2 atoms

147.7% 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   |            | 1.354e-05  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            187 ave         187 max         187 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:          116 ave         116 max         116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116
Ave neighs/atom = 58
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.26456112734085 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 = 2.341738 2.341738 2.341738
Created orthogonal box = (0 0 0) to (2.341738 2.341738 2.341738)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.341738 2.341738 2.341738)
  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-XXXXXXlq97P8/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) = 4.958 | 4.958 | 4.958 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           2   0              2.341738       0              2.341738       0              2.341738      -5.7527002     -4574723.1     -4574723.1     -4574723.1     -4574723.1     -4574723.1     -2.2162853e-09 -1.3297712e-09 -1.7730282e-09
Loop time of 1.3701e-05 on 1 procs for 0 steps with 2 atoms

138.7% 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   |            | 1.37e-05   |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            187 ave         187 max         187 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:          116 ave         116 max         116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116
Ave neighs/atom = 58
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.87635010451759 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 = 2.317329 2.317329 2.317329
Created orthogonal box = (0 0 0) to (2.317329 2.317329 2.317329)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.317329 2.317329 2.317329)
  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-XXXXXX98Bnn9/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) = 4.958 | 4.958 | 4.958 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           2   0              2.317329       0              2.317329       0              2.317329      -6.8872999     -4539856.6     -4539856.6     -4539856.6     -4539856.6     -4539856.6      3.6592953e-09  9.1482384e-10  4.5741192e-09
Loop time of 6.576e-06 on 1 procs for 0 steps with 2 atoms

212.9% 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   |            | 6.576e-06  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            187 ave         187 max         187 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:          116 ave         116 max         116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116
Ave neighs/atom = 58
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.4436499494725 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 = 2.294475 2.294475 2.294475
Created orthogonal box = (0 0 0) to (2.294475 2.294475 2.294475)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.294475 2.294475 2.294475)
  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-XXXXXXpLYt16/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) = 4.958 | 4.958 | 4.958 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           2   0              2.294475       0              2.294475       0              2.294475      -7.8991291     -4324473       -4324473       -4324473       -4324473       -4324473       -6.5970323e-09 -3.7697327e-09 -3.7697327e-09
Loop time of 6.726e-06 on 1 procs for 0 steps with 2 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   |            | 6.726e-06  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            187 ave         187 max         187 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:          116 ave         116 max         116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116
Ave neighs/atom = 58
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.94956454365435 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 = 2.27299 2.27299 2.27299
Created orthogonal box = (0 0 0) to (2.27299 2.27299 2.27299)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.27299 2.27299 2.27299)
  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-XXXXXXhSLPt7/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) = 4.958 | 4.958 | 4.958 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           2   0              2.27299        0              2.27299        0              2.27299       -8.7721658     -3974054.1     -3974054.1     -3974054.1     -3974054.1     -3974054.1     -3.8776444e-09  0              0            
Loop time of 9.522e-06 on 1 procs for 0 steps with 2 atoms

210.0% 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   |            | 9.522e-06  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            187 ave         187 max         187 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:          116 ave         116 max         116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116
Ave neighs/atom = 58
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.38608288924483 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 = 2.252718 2.252718 2.252718
Created orthogonal box = (0 0 0) to (2.252718 2.252718 2.252718)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.252718 2.252718 2.252718)
  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-XXXXXXsGIw78/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) = 4.958 | 4.958 | 4.958 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           2   0              2.252718       0              2.252718       0              2.252718      -9.5033154     -3531929.6     -3531929.6     -3531929.6     -3531929.6     -3531929.6      3.9832729e-09  7.9665459e-09  5.9749094e-09
Loop time of 9.272e-06 on 1 procs for 0 steps with 2 atoms

161.8% 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   |            | 9.272e-06  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            187 ave         187 max         187 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:          116 ave         116 max         116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116
Ave neighs/atom = 58
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.75165768525503 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 = 2.23353 2.23353 2.23353
Created orthogonal box = (0 0 0) to (2.23353 2.23353 2.23353)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.23353 2.23353 2.23353)
  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-XXXXXXyMFFta/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) = 4.958 | 4.958 | 4.958 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           2   0              2.23353        0              2.23353        0              2.23353       -10.098104     -3036480.7     -3036480.7     -3036480.7     -3036480.7     -3036480.7      1.0217042e-09 -3.0651127e-09  0            
Loop time of 7.647e-06 on 1 procs for 0 steps with 2 atoms

170.0% 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   |            | 7.647e-06  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            187 ave         187 max         187 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:          116 ave         116 max         116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116
Ave neighs/atom = 58
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.04905195448955 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 = 2.215316 2.215316 2.215316
Created orthogonal box = (0 0 0) to (2.215316 2.215316 2.215316)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.215316 2.215316 2.215316)
  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-XXXXXXTtJWx9/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) = 4.958 | 4.958 | 4.958 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           2   0              2.215316       0              2.215316       0              2.215316      -10.567514     -2519770.5     -2519770.5     -2519770.5     -2519770.5     -2519770.5      4.1884516e-09  0              2.0942258e-09
Loop time of 1.299e-05 on 1 procs for 0 steps with 2 atoms

161.7% 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   |            | 1.299e-05  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            187 ave         187 max         187 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:          116 ave         116 max         116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116
Ave neighs/atom = 58
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.28375716294265 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 = 2.197982 2.197982 2.197982
Created orthogonal box = (0 0 0) to (2.197982 2.197982 2.197982)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.197982 2.197982 2.197982)
  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-XXXXXXMCtHK8/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) = 4.958 | 4.958 | 4.958 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           2   0              2.197982       0              2.197982       0              2.197982      -10.92543      -2000951.7     -2000951.7     -2000951.7     -2000951.7     -2000951.7     -5.360412e-09   2.1441648e-09  2.1441648e-09
Loop time of 1.2559e-05 on 1 procs for 0 steps with 2 atoms

87.6% 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   |            | 1.256e-05  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            187 ave         187 max         187 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:          116 ave         116 max         116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116
Ave neighs/atom = 58
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.46271506307295 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 = 2.181447 2.181447 2.181447
Created orthogonal box = (0 0 0) to (2.181447 2.181447 2.181447)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.181447 2.181447 2.181447)
  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-XXXXXXyEQVZ9/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) = 4.958 | 4.958 | 4.958 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           2   0              2.181447       0              2.181447       0              2.181447      -11.178922     -1394274.9     -1394274.9     -1394274.9     -1394274.9     -1394274.9      4.3865851e-09  1.3159755e-08  1.3159755e-08
Loop time of 6.275e-06 on 1 procs for 0 steps with 2 atoms

223.1% 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   |            | 6.275e-06  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            187 ave         187 max         187 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:          116 ave         116 max         116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116
Ave neighs/atom = 58
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.58946089382495 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 = 2.16564 2.16564 2.16564
Created orthogonal box = (0 0 0) to (2.16564 2.16564 2.16564)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.16564 2.16564 2.16564)
  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-XXXXXXBZaYMa/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) = 4.958 | 4.958 | 4.958 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           2   0              2.16564        0              2.16564        0              2.16564       -11.327757     -718624.46     -718624.46     -718624.46     -718624.46     -718624.46      1.2329187e-08  7.8458465e-09  0            
Loop time of 9.752e-06 on 1 procs for 0 steps with 2 atoms

235.8% 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   |            | 9.752e-06  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            187 ave         187 max         187 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:          116 ave         116 max         116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116
Ave neighs/atom = 58
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.66387853936065 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 = 2.1505 2.1505 2.1505
Created orthogonal box = (0 0 0) to (2.1505 2.1505 2.1505)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.1505 2.1505 2.1505)
  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-XXXXXXLMwSF7/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) = 4.958 | 4.958 | 4.958 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           2   0              2.1505         0              2.1505         0              2.1505        -11.375976     -56.288764     -56.288764     -56.288764     -56.288764     -56.288764     -7.4403879e-09 -2.8616876e-09 -2.8616876e-09
Loop time of 9.221e-06 on 1 procs for 0 steps with 2 atoms

86.8% 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   |            | 9.221e-06  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            187 ave         187 max         187 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:          116 ave         116 max         116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116
Ave neighs/atom = 58
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.68798824627915 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 = 2.135194 2.135194 2.135194
Created orthogonal box = (0 0 0) to (2.135194 2.135194 2.135194)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.135194 2.135194 2.135194)
  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-XXXXXX5KBEp7/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) = 4.958 | 4.958 | 4.958 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           2   0              2.135194       0              2.135194       0              2.135194      -11.325418      776768.7       776768.7       776768.7       776768.7       776768.7       1.8711496e-08  3.5084056e-09 -1.1694685e-09
Loop time of 9.271e-06 on 1 procs for 0 steps with 2 atoms

226.5% 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   |            | 9.271e-06  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            187 ave         187 max         187 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:          116 ave         116 max         116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116
Ave neighs/atom = 58
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.66270910457985 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 = 2.119421 2.119421 2.119421
Created orthogonal box = (0 0 0) to (2.119421 2.119421 2.119421)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.119421 2.119421 2.119421)
  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-XXXXXXFt1w56/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) = 4.958 | 4.958 | 4.958 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           2   0              2.119421       0              2.119421       0              2.119421      -11.16659       1604029.3      1604029.3      1604029.3      1604029.3      1604029.3      7.17464e-09    1.1957733e-08  4.7830933e-09
Loop time of 1.2208e-05 on 1 procs for 0 steps with 2 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   |            | 1.221e-05  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            187 ave         187 max         187 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:          116 ave         116 max         116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116
Ave neighs/atom = 58
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.5832951400594 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 = 2.103152 2.103152 2.103152
Created orthogonal box = (0 0 0) to (2.103152 2.103152 2.103152)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.103152 2.103152 2.103152)
  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-XXXXXXRolCA8/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) = 4.958 | 4.958 | 4.958 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           2   0              2.103152       0              2.103152       0              2.103152      -10.891031      2453065.1      2453065.1      2453065.1      2453065.1      2453065.1     -2.2027291e-08 -1.2237384e-08 -9.1780378e-09
Loop time of 1.1917e-05 on 1 procs for 0 steps with 2 atoms

75.5% 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   |            | 1.192e-05  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            187 ave         187 max         187 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:          116 ave         116 max         116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116
Ave neighs/atom = 58
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.44551573589005 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 = 2.086354 2.086354 2.086354
Created orthogonal box = (0 0 0) to (2.086354 2.086354 2.086354)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.086354 2.086354 2.086354)
  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-XXXXXXpzZEM7/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) = 4.989 | 4.989 | 4.989 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           2   0              2.086354       0              2.086354       0              2.086354      -10.494383      3286083.8      3286083.8      3286083.8      3286083.8      3286083.8     -6.8944441e-09 -1.1908585e-08 -1.4415656e-08
Loop time of 1.2028e-05 on 1 procs for 0 steps with 2 atoms

191.2% 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   |            | 1.203e-05  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            339 ave         339 max         339 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:          128 ave         128 max         128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128
Ave neighs/atom = 64
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.2471916657878 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 = 2.068992 2.068992 2.068992
Created orthogonal box = (0 0 0) to (2.068992 2.068992 2.068992)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.068992 2.068992 2.068992)
  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-XXXXXXo4vsP7/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) = 4.989 | 4.989 | 4.989 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           2   0              2.068992       0              2.068992       0              2.068992      -9.9736903      4181920.4      4181920.4      4181920.4      4181920.4      4181920.4      3.2133952e-09  3.0205915e-08  2.8920556e-08
Loop time of 1.2118e-05 on 1 procs for 0 steps with 2 atoms

57.8% 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   |            | 1.212e-05  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            339 ave         339 max         339 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:          128 ave         128 max         128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128
Ave neighs/atom = 64
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.9868451281494 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 = 2.051027 2.051027 2.051027
Created orthogonal box = (0 0 0) to (2.051027 2.051027 2.051027)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.051027 2.051027 2.051027)
  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-XXXXXX8sGLAa/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) = 4.989 | 4.989 | 4.989 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           2   0              2.051027       0              2.051027       0              2.051027      -9.2993664      5290259.6      5290259.6      5290259.6      5290259.6      5290259.6      5.2777209e-09  1.4513732e-08  1.9791453e-08
Loop time of 6.244e-06 on 1 procs for 0 steps with 2 atoms

224.2% 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   |            | 6.244e-06  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            339 ave         339 max         339 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:          128 ave         128 max         128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128
Ave neighs/atom = 64
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.64968321520607 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 = 2.032415 2.032415 2.032415
Created orthogonal box = (0 0 0) to (2.032415 2.032415 2.032415)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.032415 2.032415 2.032415)
  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-XXXXXXc0JFs7/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) = 4.989 | 4.989 | 4.989 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           2   0              2.032415       0              2.032415       0              2.032415      -8.4397621      6568507.5      6568507.5      6568507.5      6568507.5      6568507.5     -1.5594133e-08 -5.4240462e-09 -8.814075e-09 
Loop time of 8.088e-06 on 1 procs for 0 steps with 2 atoms

98.9% 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   |            | 8.088e-06  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            339 ave         339 max         339 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:          128 ave         128 max         128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128
Ave neighs/atom = 64
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.21988102736344 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 = 2.013109 2.013109 2.013109
Created orthogonal box = (0 0 0) to (2.013109 2.013109 2.013109)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.013109 2.013109 2.013109)
  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-XXXXXXHBFh76/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) = 4.989 | 4.989 | 4.989 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           2   0              2.013109       0              2.013109       0              2.013109      -7.3628474      8016663.5      8016663.5      8016663.5      8016663.5      8016663.5      5.5815996e-09  1.3256299e-08  1.6047099e-08
Loop time of 1.6238e-05 on 1 procs for 0 steps with 2 atoms

154.0% 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   |            | 1.624e-05  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            339 ave         339 max         339 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:          128 ave         128 max         128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128
Ave neighs/atom = 64
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.68142372339684 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 = 1.993053 1.993053 1.993053
Created orthogonal box = (0 0 0) to (1.993053 1.993053 1.993053)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.993053 1.993053 1.993053)
  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-XXXXXX6FrKW7/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) = 4.989 | 4.989 | 4.989 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           2   0              1.993053       0              1.993053       0              1.993053      -6.0353438      9623051.3      9623051.3      9623051.3      9623051.3      9623051.3      1.4379508e-09 -1.2941557e-08 -9.34668e-09  
Loop time of 9.291e-06 on 1 procs for 0 steps with 2 atoms

172.2% 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   |            | 9.291e-06  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            339 ave         339 max         339 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:          128 ave         128 max         128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128
Ave neighs/atom = 64
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.01767190778913 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 = 1.972188 1.972188 1.972188
Created orthogonal box = (0 0 0) to (1.972188 1.972188 1.972188)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.972188 1.972188 1.972188)
  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-XXXXXXYjX8R6/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) = 4.989 | 4.989 | 4.989 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           2   0              1.972188       0              1.972188       0              1.972188      -4.4251645      11359267       11359267       11359267       11359267       11359267      -2.9681485e-09 -2.9681485e-09 -2.9681485e-09
Loop time of 6.605e-06 on 1 procs for 0 steps with 2 atoms

212.0% 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   |            | 6.605e-06  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            339 ave         339 max         339 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:          128 ave         128 max         128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128
Ave neighs/atom = 64
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.21258223250938 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 = 1.950445 1.950445 1.950445
Created orthogonal box = (0 0 0) to (1.950445 1.950445 1.950445)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.950445 1.950445 1.950445)
  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-XXXXXXUikKrb/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) = 4.989 | 4.989 | 4.989 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           2   0              1.950445       0              1.950445       0              1.950445      -2.5040627      13175526       13175526       13175526       13175526       13175526       1.7644009e-08  1.2274093e-08  1.841114e-08 
Loop time of 8.429e-06 on 1 procs for 0 steps with 2 atoms

71.2% 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   |            | 8.429e-06  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            339 ave         339 max         339 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:          128 ave         128 max         128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128
Ave neighs/atom = 64
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.25203136052628 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 = 1.927748 1.927748 1.927748
Created orthogonal box = (0 0 0) to (1.927748 1.927748 1.927748)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.927748 1.927748 1.927748)
  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-XXXXXXm21Qqa/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) = 4.989 | 4.989 | 4.989 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           2   0              1.927748       0              1.927748       0              1.927748      -0.25210867     14995059       14995059       14995059       14995059       14995059       1.5890947e-08  1.3507305e-08  2.0658231e-08
Loop time of 9.322e-06 on 1 procs for 0 steps with 2 atoms

182.4% 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   |            | 9.322e-06  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            339 ave         339 max         339 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:          128 ave         128 max         128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128
Ave neighs/atom = 64
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.126054335327278 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 = 1.904009 1.904009 1.904009
Created orthogonal box = (0 0 0) to (1.904009 1.904009 1.904009)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.904009 1.904009 1.904009)
  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-XXXXXXexTsK9/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) = 4.989 | 4.989 | 4.989 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           2   0              1.904009       0              1.904009       0              1.904009       2.3371772      16709777       16709777       16709777       16709777       16709777       3.1336261e-08  5.1127583e-08  5.1952222e-08
Loop time of 1.0464e-05 on 1 procs for 0 steps with 2 atoms

66.9% 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   |            | 1.046e-05  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            339 ave         339 max         339 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:          176 ave         176 max         176 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 176
Ave neighs/atom = 88
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 1.16858860816706 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 = 1.879127 1.879127 1.879127
Created orthogonal box = (0 0 0) to (1.879127 1.879127 1.879127)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.879127 1.879127 1.879127)
  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-XXXXXXOvNRH8/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) = 4.989 | 4.989 | 4.989 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           2   0              1.879127       0              1.879127       0              1.879127       5.2501244      18177604       18177604       18177604       18177604       18177604      -8.5783185e-10  8.5783185e-10 -1.0293982e-08
Loop time of 9.332e-06 on 1 procs for 0 steps with 2 atoms

75.0% 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   |            | 9.332e-06  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            339 ave         339 max         339 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:          176 ave         176 max         176 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 176
Ave neighs/atom = 88
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 2.62506218493259 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 = 1.852987 1.852987 1.852987
Created orthogonal box = (0 0 0) to (1.852987 1.852987 1.852987)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.852987 1.852987 1.852987)
  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-XXXXXXdCbiK9/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) = 4.989 | 4.989 | 4.989 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           2   0              1.852987       0              1.852987       0              1.852987       8.4451934      19224105       19224105       19224105       19224105       19224105      -1.0735807e-08 -2.6839517e-09 -1.7893012e-09
Loop time of 7.788e-06 on 1 procs for 0 steps with 2 atoms

256.8% 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   |            | 7.788e-06  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            339 ave         339 max         339 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:          224 ave         224 max         224 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224
Ave neighs/atom = 112
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 4.22259672196332 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 = 1.825455 1.825455 1.825455
Created orthogonal box = (0 0 0) to (1.825455 1.825455 1.825455)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.825455 1.825455 1.825455)
  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-XXXXXXzo6ge9/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) = 4.989 | 4.989 | 4.989 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           2   0              1.825455       0              1.825455       0              1.825455       11.845635      19652006       19652006       19652006       19652006       19652006      -3.742977e-09  -3.742977e-08  -4.4915724e-08
Loop time of 8.881e-06 on 1 procs for 0 steps with 2 atoms

180.2% 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   |            | 8.881e-06  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            339 ave         339 max         339 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:          224 ave         224 max         224 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224
Ave neighs/atom = 112
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 5.922817624667 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 = 1.796375 1.796375 1.796375
Created orthogonal box = (0 0 0) to (1.796375 1.796375 1.796375)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.796375 1.796375 1.796375)
  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-XXXXXX9IKe46/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) = 4.989 | 4.989 | 4.989 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           2   0              1.796375       0              1.796375       0              1.796375       15.33857       19723239       19723239       19723239       19723239       19723239       2.1602412e-08  3.3385545e-08  1.9638556e-08
Loop time of 1.1226e-05 on 1 procs for 0 steps with 2 atoms

80.2% 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   |            | 1.123e-05  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            339 ave         339 max         339 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:          224 ave         224 max         224 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224
Ave neighs/atom = 112
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 7.66928484446265 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 = 1.76556 1.76556 1.76556
Created orthogonal box = (0 0 0) to (1.76556 1.76556 1.76556)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.76556 1.76556 1.76556)
  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-XXXXXXwKtSI7/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) = 4.989 | 4.989 | 4.989 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           2   0              1.76556        0              1.76556        0              1.76556        19.245957      23076720       23076720       23076720       23076720       23076720      -6.2054656e-09  2.0684885e-08  2.0684885e-08
Loop time of 1.1346e-05 on 1 procs for 0 steps with 2 atoms

149.8% 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   |            | 1.135e-05  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            339 ave         339 max         339 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:          224 ave         224 max         224 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224
Ave neighs/atom = 112
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 9.6229783361449 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 = 1.732793 1.732793 1.732793
Created orthogonal box = (0 0 0) to (1.732793 1.732793 1.732793)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.732793 1.732793 1.732793)
  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-XXXXXXOZmpC7/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) = 4.989 | 4.989 | 4.989 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           2   0              1.732793       0              1.732793       0              1.732793       23.954597      27220530       27220530       27220530       27220530       27220530       2.6256797e-08 -1.0940332e-08 -1.0940332e-08
Loop time of 1.6398e-05 on 1 procs for 0 steps with 2 atoms

158.6% 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   |            | 1.64e-05   |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            339 ave         339 max         339 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:          224 ave         224 max         224 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224
Ave neighs/atom = 112
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 11.9772986945328 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 = 1.697807 1.697807 1.697807
Created orthogonal box = (0 0 0) to (1.697807 1.697807 1.697807)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.697807 1.697807 1.697807)
  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-XXXXXXXA8uw9/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) = 4.989 | 4.989 | 4.989 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           2   0              1.697807       0              1.697807       0              1.697807       29.684612      32411922       32411922       32411922       32411922       32411922      -6.5131883e-08 -1.8376496e-07 -1.6282971e-07
Loop time of 1.3811e-05 on 1 procs for 0 steps with 2 atoms

173.8% 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   |            | 1.381e-05  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            339 ave         339 max         339 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:          272 ave         272 max         272 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 272
Ave neighs/atom = 136
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 14.8423060391715 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 = 1.660282 1.660282 1.660282
Created orthogonal box = (0 0 0) to (1.660282 1.660282 1.660282)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.660282 1.660282 1.660282)
  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-XXXXXXb6w0M7/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) = 4.99 | 4.99 | 4.99 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           2   0              1.660282       0              1.660282       0              1.660282       36.735482      39018502       39018502       39018502       39018502       39018502       3.7311804e-08  8.2085968e-08  6.2186339e-08
Loop time of 1.3501e-05 on 1 procs for 0 steps with 2 atoms

74.1% 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   |            | 1.35e-05   |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            557 ave         557 max         557 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:          272 ave         272 max         272 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 272
Ave neighs/atom = 136
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 18.3677410837592 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 = 1.619819 1.619819 1.619819
Created orthogonal box = (0 0 0) to (1.619819 1.619819 1.619819)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.619819 1.619819 1.619819)
  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-XXXXXXFVbZE7/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) = 4.99 | 4.99 | 4.99 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           2   0              1.619819       0              1.619819       0              1.619819       45.525137      47581349       47581349       47581349       47581349       47581349      -1.8749908e-08  5.3571165e-09  5.3571165e-09
Loop time of 1.0184e-05 on 1 procs for 0 steps with 2 atoms

88.4% 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   |            | 1.018e-05  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            557 ave         557 max         557 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:          272 ave         272 max         272 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 272
Ave neighs/atom = 136
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 22.7625683112369 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 = 1.575919 1.575919 1.575919
Created orthogonal box = (0 0 0) to (1.575919 1.575919 1.575919)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.575919 1.575919 1.575919)
  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-XXXXXXm0H4s9/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) = 4.99 | 4.99 | 4.99 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           2   0              1.575919       0              1.575919       0              1.575919       56.649819      58920425       58920425       58920425       58920425       58920425      -7.5626192e-08 -2.3269598e-08  5.8173994e-09
Loop time of 9.672e-06 on 1 procs for 0 steps with 2 atoms

237.8% 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   |            | 9.672e-06  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            557 ave         557 max         557 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:          336 ave         336 max         336 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 336
Ave neighs/atom = 168
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 28.3249092609116 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 = 1.527943 1.527943 1.527943
Created orthogonal box = (0 0 0) to (1.527943 1.527943 1.527943)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.527943 1.527943 1.527943)
  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-XXXXXXniayY8/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) = 4.99 | 4.99 | 4.99 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           2   0              1.527943       0              1.527943       0              1.527943       73.249407      1.1274562e+08  1.1274562e+08  1.1274562e+08  1.1274562e+08  1.1274562e+08 -2.3297105e-07  2.1063136e-07  2.2020552e-07
Loop time of 9.141e-06 on 1 procs for 0 steps with 2 atoms

65.6% 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   |            | 9.141e-06  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            557 ave         557 max         557 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:          336 ave         336 max         336 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 336
Ave neighs/atom = 168
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 36.6247036234833 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 = 1.475056 1.475056 1.475056
Created orthogonal box = (0 0 0) to (1.475056 1.475056 1.475056)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.475056 1.475056 1.475056)
  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-XXXXXX0dPEH8/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) = 4.99 | 4.99 | 4.99 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           2   0              1.475056       0              1.475056       0              1.475056       110.56249      2.2681005e+08  2.2681005e+08  2.2681005e+08  2.2681005e+08  2.2681005e+08  2.447508e-07   7.6617643e-07  6.7395149e-07
Loop time of 1.0003e-05 on 1 procs for 0 steps with 2 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   |            | 1e-05      |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            557 ave         557 max         557 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:          360 ave         360 max         360 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 360
Ave neighs/atom = 180
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 55.2812468390895 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 = 1.416137 1.416137 1.416137
Created orthogonal box = (0 0 0) to (1.416137 1.416137 1.416137)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.416137 1.416137 1.416137)
  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-XXXXXX804sp7/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) = 4.99 | 4.99 | 4.99 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           2   0              1.416137       0              1.416137       0              1.416137       178.70485      3.6464976e+08  3.6464976e+08  3.6464976e+08  3.6464976e+08  3.6464976e+08 -1.2025579e-08 -1.362899e-07  -1.6434958e-07
Loop time of 1.0304e-05 on 1 procs for 0 steps with 2 atoms

97.0% 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   |            | 1.03e-05   |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            557 ave         557 max         557 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:          456 ave         456 max         456 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 456
Ave neighs/atom = 228
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 89.352426137189 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 = 1.34963 1.34963 1.34963
Created orthogonal box = (0 0 0) to (1.34963 1.34963 1.34963)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.34963 1.34963 1.34963)
  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-XXXXXXCVybJ7/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) = 5.409 | 5.409 | 5.409 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           2   0              1.34963        0              1.34963        0              1.34963        280.06564      4.7349563e+08  4.7349563e+08  4.7349563e+08  4.7349563e+08  4.7349563e+08  1.1113929e-07  1.2410554e-06  1.2179014e-06
Loop time of 1.0464e-05 on 1 procs for 0 steps with 2 atoms

86.0% 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   |            | 1.046e-05  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            853 ave         853 max         853 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:          516 ave         516 max         516 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 516
Ave neighs/atom = 258
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 140.032819426024 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 = 1.27329 1.27329 1.27329
Created orthogonal box = (0 0 0) to (1.27329 1.27329 1.27329)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.27329 1.27329 1.27329)
  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-XXXXXXEh6hva/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) = 5.409 | 5.409 | 5.409 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           2   0              1.27329        0              1.27329        0              1.27329        438.36622      9.6533129e+08  9.6533129e+08  9.6533129e+08  9.6533129e+08  9.6533129e+08 -5.5775595e-07  1.0548507e-06  1.1746221e-06
Loop time of 1.3611e-05 on 1 procs for 0 steps with 2 atoms

205.7% 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   |            | 1.361e-05  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            853 ave         853 max         853 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:          612 ave         612 max         612 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 612
Ave neighs/atom = 306
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 219.18311025809 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 = 1.183694 1.183694 1.183694
Created orthogonal box = (0 0 0) to (1.183694 1.183694 1.183694)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.183694 1.183694 1.183694)
  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-XXXXXXfY1vfb/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) = 5.793 | 5.793 | 5.793 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           2   0              1.183694       0              1.183694       0              1.183694       864.50947      2.3879428e+09  2.3879428e+09  2.3879428e+09  2.3879428e+09  2.3879428e+09 -2.0291931e-07 -1.6988594e-07 -1.9905827e-07
Loop time of 7.206e-06 on 1 procs for 0 steps with 2 atoms

124.9% 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   |            | 7.206e-06  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1239 ave        1239 max        1239 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:          676 ave         676 max         676 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 676
Ave neighs/atom = 338
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 432.254733587461 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 = 1.07525 1.07525 1.07525
Created orthogonal box = (0 0 0) to (1.07525 1.07525 1.07525)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.07525 1.07525 1.07525)
  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-XXXXXXRctFg9/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) = 6.174 | 6.174 | 6.174 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           2   0              1.07525        0              1.07525        0              1.07525        1560.7766      2.801268e+09   2.801268e+09   2.801268e+09   2.801268e+09   2.801268e+09   4.8992093e-07  2.1268063e-06  2.2160909e-06
Loop time of 5.964e-06 on 1 procs for 0 steps with 2 atoms

83.8% 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   |            | 5.964e-06  |            |       |100.00

Nlocal:              2 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1239 ave        1239 max        1239 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:         1060 ave        1060 max        1060 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1060
Ave neighs/atom = 530
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 780.38828426533 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