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 = 3.47034 3.47034 3.47034
Created orthogonal box = (0 0 0) to (3.47034 3.47034 3.47034)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (3.47034 3.47034 3.47034)
  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-XXXXXXm0YP2G/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              3.47034        0              3.47034        0              3.47034        0              0              0              0              0              0              0              0              0            
Loop time of 1.292e-06 on 1 procs for 0 steps with 2 atoms

154.8% 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   |            | 1.292e-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 = 3.237814 3.237814 3.237814
Created orthogonal box = (0 0 0) to (3.237814 3.237814 3.237814)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (3.237814 3.237814 3.237814)
  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-XXXXXXPtqVhH/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              3.237814       0              3.237814       0              3.237814       0              0              0              0              0              0              0              0              0            
Loop time of 4.81e-07 on 1 procs for 0 steps with 2 atoms

207.9% 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   |            | 4.81e-07   |            |       |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 = 3.093704 3.093704 3.093704
Created orthogonal box = (0 0 0) to (3.093704 3.093704 3.093704)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (3.093704 3.093704 3.093704)
  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-XXXXXX61WPFI/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              3.093704       0              3.093704       0              3.093704       0              0              0              0              0              0              0              0              0            
Loop time of 4.91e-07 on 1 procs for 0 steps with 2 atoms

203.7% 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   |            | 4.91e-07   |            |       |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 = 2.989001 2.989001 2.989001
Created orthogonal box = (0 0 0) to (2.989001 2.989001 2.989001)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.989001 2.989001 2.989001)
  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-XXXXXXGwstAJ/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              2.989001       0              2.989001       0              2.989001       0              0              0              0              0              0              0              0              0            
Loop time of 4.71e-07 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   |            | 4.71e-07   |            |       |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 = 2.906716 2.906716 2.906716
Created orthogonal box = (0 0 0) to (2.906716 2.906716 2.906716)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.906716 2.906716 2.906716)
  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-XXXXXXmqub2I/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              2.906716       0              2.906716       0              2.906716       0              0              0              0              0              0              0              0              0            
Loop time of 4.91e-07 on 1 procs for 0 steps with 2 atoms

203.7% 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   |            | 4.91e-07   |            |       |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 = 2.838923 2.838923 2.838923
Created orthogonal box = (0 0 0) to (2.838923 2.838923 2.838923)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.838923 2.838923 2.838923)
  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-XXXXXXcRkOgH/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              2.838923       0              2.838923       0              2.838923       0              0              0              0              0              0              0              0              0            
Loop time of 4.71e-07 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   |            | 4.71e-07   |            |       |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 = 2.781274 2.781274 2.781274
Created orthogonal box = (0 0 0) to (2.781274 2.781274 2.781274)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.781274 2.781274 2.781274)
  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-XXXXXX4OBp7I/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              2.781274       0              2.781274       0              2.781274       0              0              0              0              0              0              0              0              0            
Loop time of 4.81e-07 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   |            | 4.81e-07   |            |       |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 = 2.731123 2.731123 2.731123
Created orthogonal box = (0 0 0) to (2.731123 2.731123 2.731123)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.731123 2.731123 2.731123)
  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-XXXXXXpcazeI/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              2.731123       0              2.731123       0              2.731123       0              0              0              0              0              0              0              0              0            
Loop time of 4.81e-07 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   |            | 4.81e-07   |            |       |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 = 2.686744 2.686744 2.686744
Created orthogonal box = (0 0 0) to (2.686744 2.686744 2.686744)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.686744 2.686744 2.686744)
  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-XXXXXX6JKjgH/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              2.686744       0              2.686744       0              2.686744       0              0              0              0              0              0              0              0              0            
Loop time of 4.71e-07 on 1 procs for 0 steps with 2 atoms

212.3% 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   |            | 4.71e-07   |            |       |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 = 2.646943 2.646943 2.646943
Created orthogonal box = (0 0 0) to (2.646943 2.646943 2.646943)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.646943 2.646943 2.646943)
  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-XXXXXX0JxhLG/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              2.646943       0              2.646943       0              2.646943       0              0              0              0              0              0              0              0              0            
Loop time of 4.71e-07 on 1 procs for 0 steps with 2 atoms

212.3% 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   |            | 4.71e-07   |            |       |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 = 2.610864 2.610864 2.610864
Created orthogonal box = (0 0 0) to (2.610864 2.610864 2.610864)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.610864 2.610864 2.610864)
  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-XXXXXX7Ft3TI/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              2.610864       0              2.610864       0              2.610864       0              0              0              0              0              0              0              0              0            
Loop time of 4.61e-07 on 1 procs for 0 steps with 2 atoms

216.9% 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   |            | 4.61e-07   |            |       |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 = 2.57787 2.57787 2.57787
Created orthogonal box = (0 0 0) to (2.57787 2.57787 2.57787)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.57787 2.57787 2.57787)
  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-XXXXXXH8BTbJ/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              2.57787        0              2.57787        0              2.57787        0              0              0              0              0              0              0              0              0            
Loop time of 4.61e-07 on 1 procs for 0 steps with 2 atoms

216.9% 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   |            | 4.61e-07   |            |       |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 = 2.547475 2.547475 2.547475
Created orthogonal box = (0 0 0) to (2.547475 2.547475 2.547475)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.547475 2.547475 2.547475)
  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-XXXXXXicyWQH/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              2.547475       0              2.547475       0              2.547475       0              0              0              0              0              0              0              0              0            
Loop time of 4.91e-07 on 1 procs for 0 steps with 2 atoms

203.7% 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   |            | 4.91e-07   |            |       |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 = 2.519299 2.519299 2.519299
Created orthogonal box = (0 0 0) to (2.519299 2.519299 2.519299)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.519299 2.519299 2.519299)
  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-XXXXXXI3tEvG/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              2.519299       0              2.519299       0              2.519299      -0.082766154   -657604.75     -657604.75     -657604.75     -657604.75     -657604.75      2.2249048e-11  2.2249048e-10  1.3349429e-10
Loop time of 4.51e-07 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   |            | 4.51e-07   |            |       |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: -0.0413830769432445 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 = 2.493039 2.493039 2.493039
Created orthogonal box = (0 0 0) to (2.493039 2.493039 2.493039)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.493039 2.493039 2.493039)
  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-XXXXXXSoQr8H/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              2.493039       0              2.493039       0              2.493039      -0.40570118    -1416510.3     -1416510.3     -1416510.3     -1416510.3     -1416510.3     -7.3470559e-10  9.1838199e-11  9.1838199e-11
Loop time of 4.61e-07 on 1 procs for 0 steps with 2 atoms

216.9% 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   |            | 4.61e-07   |            |       |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: -0.202850589781101 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 = 2.468452 2.468452 2.468452
Created orthogonal box = (0 0 0) to (2.468452 2.468452 2.468452)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.468452 2.468452 2.468452)
  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-XXXXXX7O5iPF/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              2.468452       0              2.468452       0              2.468452      -0.89078417    -1979877       -1979877       -1979877       -1979877       -1979877       -3.7843954e-10  1.2299285e-09  1.5137582e-09
Loop time of 4.81e-07 on 1 procs for 0 steps with 2 atoms

207.9% 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   |            | 4.81e-07   |            |       |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: -0.445392084429514 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 = 2.445337 2.445337 2.445337
Created orthogonal box = (0 0 0) to (2.445337 2.445337 2.445337)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.445337 2.445337 2.445337)
  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-XXXXXXXFxkNJ/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              2.445337       0              2.445337       0              2.445337      -1.4571738     -2323335.6     -2323335.6     -2323335.6     -2323335.6     -2323335.6     -7.7854623e-10 -1.5570925e-09 -7.7854623e-10
Loop time of 4.71e-07 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   |            | 4.71e-07   |            |       |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: -0.72858688180801 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 = 2.423529 2.423529 2.423529
Created orthogonal box = (0 0 0) to (2.423529 2.423529 2.423529)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.423529 2.423529 2.423529)
  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-XXXXXX0AdVcJ/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              2.423529       0              2.423529       0              2.423529      -2.038745      -2449411.6     -2449411.6     -2449411.6     -2449411.6     -2449411.6     -1.7994443e-09 -3.9987652e-10 -3.9987652e-10
Loop time of 4.81e-07 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   |            | 4.81e-07   |            |       |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: -1.01937249071665 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 = 2.402886 2.402886 2.402886
Created orthogonal box = (0 0 0) to (2.402886 2.402886 2.402886)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.402886 2.402886 2.402886)
  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-XXXXXXfrjssJ/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              2.402886       0              2.402886       0              2.402886      -2.5854525     -2375918.2     -2375918.2     -2375918.2     -2375918.2     -2375918.2      1.6410849e-09  6.1540685e-10 -4.1027123e-10
Loop time of 4.6e-07 on 1 procs for 0 steps with 2 atoms

217.4% 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   |            | 4.6e-07    |            |       |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: -1.29272624913069 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 = 2.383291 2.383291 2.383291
Created orthogonal box = (0 0 0) to (2.383291 2.383291 2.383291)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.383291 2.383291 2.383291)
  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-XXXXXXlOQQAI/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              2.383291       0              2.383291       0              2.383291      -3.0618083     -2128836       -2128836       -2128836       -2128836       -2128836        5.0456903e-09  1.4716597e-09  1.2614226e-09
Loop time of 4.7e-07 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   |            | 4.7e-07    |            |       |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: -1.53090415370654 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 = 2.364643 2.364643 2.364643
Created orthogonal box = (0 0 0) to (2.364643 2.364643 2.364643)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.364643 2.364643 2.364643)
  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-XXXXXXP9nhZH/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              2.364643       0              2.364643       0              2.364643      -3.4447826     -1737837.4     -1737837.4     -1737837.4     -1737837.4     -1737837.4     -1.7220026e-09 -8.6100131e-10 -3.0135046e-09
Loop time of 4.91e-07 on 1 procs for 0 steps with 2 atoms

203.7% 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   |            | 4.91e-07   |            |       |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: -1.72239131485194 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 = 2.346854 2.346854 2.346854
Created orthogonal box = (0 0 0) to (2.346854 2.346854 2.346854)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.346854 2.346854 2.346854)
  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-XXXXXX8g1NzJ/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              2.346854       0              2.346854       0              2.346854      -3.7213899     -1233366.4     -1233366.4     -1233366.4     -1233366.4     -1233366.4     -4.4036455e-09  3.0825518e-09  3.5229164e-09
Loop time of 5.21e-07 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   |            | 5.21e-07   |            |       |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: -1.86069494095179 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 = 2.329848 2.329848 2.329848
Created orthogonal box = (0 0 0) to (2.329848 2.329848 2.329848)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.329848 2.329848 2.329848)
  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-XXXXXXYlkLOF/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              2.329848       0              2.329848       0              2.329848      -3.8864186     -644880.52     -644880.52     -644880.52     -644880.52     -644880.52     -3.6006241e-09  1.8003121e-09 -1.8003121e-09
Loop time of 5.11e-07 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   |            | 5.11e-07   |            |       |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: -1.94320927917623 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 = 2.31356 2.31356 2.31356
Created orthogonal box = (0 0 0) to (2.31356 2.31356 2.31356)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.31356 2.31356 2.31356)
  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-XXXXXXeRHN3J/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              2.31356        0              2.31356        0              2.31356       -3.9405095      146.78871      146.78871      146.78871      146.78871      146.78871      4.5965106e-10 -4.5965106e-09 -8.2737191e-09
Loop time of 5.01e-07 on 1 procs for 0 steps with 2 atoms

199.6% 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   |            | 5.01e-07   |            |       |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: -1.97025476943104 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 = 2.297093 2.297093 2.297093
Created orthogonal box = (0 0 0) to (2.297093 2.297093 2.297093)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.297093 2.297093 2.297093)
  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-XXXXXXjUkRwH/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              2.297093       0              2.297093       0              2.297093      -3.8828127      714465.37      714465.37      714465.37      714465.37      714465.37      1.8784292e-09  1.8784292e-09  1.8784292e-09
Loop time of 5.21e-07 on 1 procs for 0 steps with 2 atoms

191.9% 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   |            | 5.21e-07   |            |       |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: -1.94140637183191 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 = 2.280125 2.280125 2.280125
Created orthogonal box = (0 0 0) to (2.280125 2.280125 2.280125)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.280125 2.280125 2.280125)
  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-XXXXXXkQv81J/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              2.280125       0              2.280125       0              2.280125      -3.6997062      1493254.5      1493254.5      1493254.5      1493254.5      1493254.5      1.4405086e-09 -5.7620343e-09 -5.7620343e-09
Loop time of 5.31e-07 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   |            | 5.31e-07   |            |       |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: -1.84985308089057 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 = 2.262622 2.262622 2.262622
Created orthogonal box = (0 0 0) to (2.262622 2.262622 2.262622)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.262622 2.262622 2.262622)
  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-XXXXXXGXV5ZI/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              2.262622       0              2.262622       0              2.262622      -3.3780089      2314612        2314612        2314612        2314612        2314612        1.9655973e-09  6.3881911e-09  3.9311945e-09
Loop time of 5.11e-07 on 1 procs for 0 steps with 2 atoms

195.7% 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   |            | 5.11e-07   |            |       |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: -1.68900446022655 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 = 2.24455 2.24455 2.24455
Created orthogonal box = (0 0 0) to (2.24455 2.24455 2.24455)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.24455 2.24455 2.24455)
  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-XXXXXXrf9SyF/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              2.24455        0              2.24455        0              2.24455       -2.9082476      3149374.7      3149374.7      3149374.7      3149374.7      3149374.7      9.0605637e-09  5.0336465e-09  8.0538344e-09
Loop time of 5.92e-07 on 1 procs for 0 steps with 2 atoms

168.9% 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   |            | 5.92e-07   |            |       |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: -1.45412380714215 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 = 2.225872 2.225872 2.225872
Created orthogonal box = (0 0 0) to (2.225872 2.225872 2.225872)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.225872 2.225872 2.225872)
  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-XXXXXXCIGS1H/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              2.225872       0              2.225872       0              2.225872      -2.2862271      3960442.3      3960442.3      3960442.3      3960442.3      3960442.3     -3.0968577e-09  0             -3.0968577e-09
Loop time of 5.31e-07 on 1 procs for 0 steps with 2 atoms

188.3% 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   |            | 5.31e-07   |            |       |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: -1.14311356475898 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 = 2.206545 2.206545 2.206545
Created orthogonal box = (0 0 0) to (2.206545 2.206545 2.206545)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.206545 2.206545 2.206545)
  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-XXXXXX1uM1QJ/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              2.206545       0              2.206545       0              2.206545      -1.5147503      4702298        4702298        4702298        4702298        4702298        4.2385976e-09  7.4175458e-09  1.0596494e-08
Loop time of 5.01e-07 on 1 procs for 0 steps with 2 atoms

199.6% 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   |            | 5.01e-07   |            |       |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: -0.7573751669079 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 = 2.186522 2.186522 2.186522
Created orthogonal box = (0 0 0) to (2.186522 2.186522 2.186522)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.186522 2.186522 2.186522)
  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-XXXXXXwUPmBF/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              2.186522       0              2.186522       0              2.186522      -0.56094029     6085322.5      6085322.5      6085322.5      6085322.5      6085322.5     -5.4451395e-10 -9.8012511e-09 -1.2523821e-08
Loop time of 5.21e-07 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   |            | 5.21e-07   |            |       |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: -0.280470145432697 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 = 2.165751 2.165751 2.165751
Created orthogonal box = (0 0 0) to (2.165751 2.165751 2.165751)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.165751 2.165751 2.165751)
  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-XXXXXXOuQZAH/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              2.165751       0              2.165751       0              2.165751       0.73193563     7973241        7973241        7973241        7973241        7973241        3.3619887e-09  1.7930606e-08  1.4008286e-08
Loop time of 5.11e-07 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   |            | 5.11e-07   |            |       |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: 0.365967815612709 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 = 2.144175 2.144175 2.144175
Created orthogonal box = (0 0 0) to (2.144175 2.144175 2.144175)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.144175 2.144175 2.144175)
  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-XXXXXXwUGxFF/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              2.144175       0              2.144175       0              2.144175       2.4141362      9960260.8      9960260.8      9960260.8      9960260.8      9960260.8      1.5012853e-08  1.1548348e-09  1.7322523e-09
Loop time of 5.01e-07 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   |            | 5.01e-07   |            |       |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: 1.20706809369462 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 = 2.121727 2.121727 2.121727
Created orthogonal box = (0 0 0) to (2.121727 2.121727 2.121727)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.121727 2.121727 2.121727)
  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-XXXXXXh0Oc6H/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              2.121727       0              2.121727       0              2.121727       4.5084465      11919888       11919888       11919888       11919888       11919888      -3.575636e-09   8.3431508e-09  3.575636e-09 
Loop time of 4.91e-07 on 1 procs for 0 steps with 2 atoms

203.7% 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   |            | 4.91e-07   |            |       |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: 2.25422324951849 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 = 2.098336 2.098336 2.098336
Created orthogonal box = (0 0 0) to (2.098336 2.098336 2.098336)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.098336 2.098336 2.098336)
  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-XXXXXXAZ9OOJ/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              2.098336       0              2.098336       0              2.098336       7.0103086      13685610       13685610       13685610       13685610       13685610       6.1609186e-09  2.3103445e-08  2.7108042e-08
Loop time of 5.01e-07 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   |            | 5.01e-07   |            |       |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: 3.50515429761912 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 = 2.073918 2.073918 2.073918
Created orthogonal box = (0 0 0) to (2.073918 2.073918 2.073918)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.073918 2.073918 2.073918)
  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-XXXXXXkXQ7cH/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              2.073918       0              2.073918       0              2.073918       9.8849769      15421282       15421282       15421282       15421282       15421282       5.1048832e-09  9.8907112e-09  1.0528822e-08
Loop time of 5.41e-07 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   |            | 5.41e-07   |            |       |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: 4.9424884547891 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 = 2.048379 2.048379 2.048379
Created orthogonal box = (0 0 0) to (2.048379 2.048379 2.048379)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.048379 2.048379 2.048379)
  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-XXXXXX13B2pG/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              2.048379       0              2.048379       0              2.048379       13.354567      18772290       18772290       18772290       18772290       18772290       1.4238954e-08  9.9341538e-10  9.9341538e-10
Loop time of 5.01e-07 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   |            | 5.01e-07   |            |       |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: 6.6772835101048 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 = 2.021611 2.021611 2.021611
Created orthogonal box = (0 0 0) to (2.021611 2.021611 2.021611)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.021611 2.021611 2.021611)
  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-XXXXXXRsK0SI/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              2.021611       0              2.021611       0              2.021611       17.624548      22399697       22399697       22399697       22399697       22399697       1.1022948e-08 -1.3434218e-08 -6.5448756e-09
Loop time of 5.01e-07 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   |            | 5.01e-07   |            |       |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: 8.8122739057057 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 = 1.993489 1.993489 1.993489
Created orthogonal box = (0 0 0) to (1.993489 1.993489 1.993489)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.993489 1.993489 1.993489)
  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-XXXXXX3KBm1H/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              1.993489       0              1.993489       0              1.993489       22.784387      26239006       26239006       26239006       26239006       26239006       3.2332668e-09  6.8257856e-09  6.8257856e-09
Loop time of 5.01e-07 on 1 procs for 0 steps with 2 atoms

199.6% 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   |            | 5.01e-07   |            |       |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: 11.3921935115038 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 = 1.963869 1.963869 1.963869
Created orthogonal box = (0 0 0) to (1.963869 1.963869 1.963869)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.963869 1.963869 1.963869)
  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-XXXXXXJiOiWJ/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              1.963869       0              1.963869       0              1.963869       28.909858      30162021       30162021       30162021       30162021       30162021      -7.5150698e-10 -3.3817814e-09 -3.7575349e-09
Loop time of 5.21e-07 on 1 procs for 0 steps with 2 atoms

191.9% 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   |            | 5.21e-07   |            |       |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: 14.4549289194849 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 = 1.932583 1.932583 1.932583
Created orthogonal box = (0 0 0) to (1.932583 1.932583 1.932583)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.932583 1.932583 1.932583)
  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-XXXXXXbWFbbG/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              1.932583       0              1.932583       0              1.932583       36.04403       33942453       33942453       33942453       33942453       33942453       1.9714969e-08  9.4631854e-09  1.8926371e-08
Loop time of 5.11e-07 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   |            | 5.11e-07   |            |       |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: 18.0220151266429 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 = 1.899433 1.899433 1.899433
Created orthogonal box = (0 0 0) to (1.899433 1.899433 1.899433)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.899433 1.899433 1.899433)
  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-XXXXXXoIpHBF/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              1.899433       0              1.899433       0              1.899433       44.167486      37217910       37217910       37217910       37217910       37217910       2.4918385e-09  1.8273482e-08  1.8273482e-08
Loop time of 5.11e-07 on 1 procs for 0 steps with 2 atoms

195.7% 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   |            | 5.11e-07   |            |       |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: 22.0837428566022 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 = 1.86418 1.86418 1.86418
Created orthogonal box = (0 0 0) to (1.86418 1.86418 1.86418)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.86418 1.86418 1.86418)
  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-XXXXXXeU7inJ/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              1.86418        0              1.86418        0              1.86418        53.156816      39456151       39456151       39456151       39456151       39456151      -4.3931602e-09 -1.2300848e-08 -5.2717922e-09
Loop time of 4.81e-07 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   |            | 4.81e-07   |            |       |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: 26.5784077809324 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 = 1.826542 1.826542 1.826542
Created orthogonal box = (0 0 0) to (1.826542 1.826542 1.826542)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.826542 1.826542 1.826542)
  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-XXXXXXLCvaMH/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              1.826542       0              1.826542       0              1.826542       62.728086      39940399       39940399       39940399       39940399       39940399       1.3077045e-08  3.4560761e-08  1.9615567e-08
Loop time of 5.11e-07 on 1 procs for 0 steps with 2 atoms

195.7% 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   |            | 5.11e-07   |            |       |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: 31.364043110147 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 = 1.786172 1.786172 1.786172
Created orthogonal box = (0 0 0) to (1.786172 1.786172 1.786172)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.786172 1.786172 1.786172)
  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-XXXXXXJ0tvZH/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              1.786172       0              1.786172       0              1.786172       72.517423      41234891       41234891       41234891       41234891       41234891       3.2962085e-08  5.4936808e-08  7.3914978e-08
Loop time of 5.01e-07 on 1 procs for 0 steps with 2 atoms

199.6% 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   |            | 5.01e-07   |            |       |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: 36.2587112625841 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 = 1.742641 1.742641 1.742641
Created orthogonal box = (0 0 0) to (1.742641 1.742641 1.742641)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.742641 1.742641 1.742641)
  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-XXXXXXshH0EF/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              1.742641       0              1.742641       0              1.742641       84.010775      49683562       49683562       49683562       49683562       49683562      -3.8721242e-08 -4.7325963e-08 -4.6250373e-08
Loop time of 5.01e-07 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   |            | 5.01e-07   |            |       |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: 42.0053877227651 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 = 1.695412 1.695412 1.695412
Created orthogonal box = (0 0 0) to (1.695412 1.695412 1.695412)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.695412 1.695412 1.695412)
  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-XXXXXXzJehQI/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              1.695412       0              1.695412       0              1.695412       98.39149       60854262       60854262       60854262       60854262       60854262      -3.1536143e-08 -5.8400264e-08 -6.3072285e-08
Loop time of 5.01e-07 on 1 procs for 0 steps with 2 atoms

199.6% 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   |            | 5.01e-07   |            |       |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: 49.195744943148 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 = 1.643798 1.643798 1.643798
Created orthogonal box = (0 0 0) to (1.643798 1.643798 1.643798)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.643798 1.643798 1.643798)
  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-XXXXXXYb2hQG/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              1.643798       0              1.643798       0              1.643798       116.73183      76018310       76018310       76018310       76018310       76018310       3.4601027e-08 -2.4348871e-08 -3.8445585e-09
Loop time of 5.11e-07 on 1 procs for 0 steps with 2 atoms

195.7% 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   |            | 5.11e-07   |            |       |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: 58.365915954635 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 = 1.586901 1.586901 1.586901
Created orthogonal box = (0 0 0) to (1.586901 1.586901 1.586901)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.586901 1.586901 1.586901)
  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-XXXXXXNj6AfG/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              1.586901       0              1.586901       0              1.586901       140.662        97269907       97269907       97269907       97269907       97269907       8.5461855e-09 -1.5668007e-08 -2.5638556e-08
Loop time of 4.71e-07 on 1 procs for 0 steps with 2 atoms

212.3% 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   |            | 4.71e-07   |            |       |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: 70.33100074545 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 = 1.523514 1.523514 1.523514
Created orthogonal box = (0 0 0) to (1.523514 1.523514 1.523514)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.523514 1.523514 1.523514)
  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-XXXXXXoZSVXH/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              1.523514       0              1.523514       0              1.523514       177.09085      1.9160227e+08  1.9160227e+08  1.9160227e+08  1.9160227e+08  1.9160227e+08 -2.5754386e-08 -2.784693e-07  -2.7685965e-07
Loop time of 4.61e-07 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   |            | 4.61e-07   |            |       |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: 88.545424896901 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 = 1.451965 1.451965 1.451965
Created orthogonal box = (0 0 0) to (1.451965 1.451965 1.451965)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.451965 1.451965 1.451965)
  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-XXXXXX4hWgiG/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              1.451965       0              1.451965       0              1.451965       263.35518      3.9330008e+08  3.9330008e+08  3.9330008e+08  3.9330008e+08  3.9330008e+08 -7.4381017e-09  4.2025275e-07  4.5000515e-07
Loop time of 4.71e-07 on 1 procs for 0 steps with 2 atoms

212.3% 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   |            | 4.71e-07   |            |       |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: 131.67758989486 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 = 1.369836 1.369836 1.369836
Created orthogonal box = (0 0 0) to (1.369836 1.369836 1.369836)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.369836 1.369836 1.369836)
  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-XXXXXXyv1KoG/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              1.369836       0              1.369836       0              1.369836       414.31066      5.8249264e+08  5.8249264e+08  5.8249264e+08  5.8249264e+08  5.8249264e+08 -4.8717783e-08 -2.081578e-07  -2.0372891e-07
Loop time of 5.61e-07 on 1 procs for 0 steps with 2 atoms

178.3% 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   |            | 5.61e-07   |            |       |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: 207.155328800541 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 = 1.273446 1.273446 1.273446
Created orthogonal box = (0 0 0) to (1.273446 1.273446 1.273446)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.273446 1.273446 1.273446)
  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-XXXXXXf7bwkI/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              1.273446       0              1.273446       0              1.273446       649.37599      1.0943703e+09  1.0943703e+09  1.0943703e+09  1.0943703e+09  1.0943703e+09 -1.8501769e-07 -9.288784e-07  -8.6065959e-07
Loop time of 5.51e-07 on 1 procs for 0 steps with 2 atoms

181.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.51e-07   |            |       |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: 324.687995045323 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 = 1.15678 1.15678 1.15678
Created orthogonal box = (0 0 0) to (1.15678 1.15678 1.15678)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.15678 1.15678 1.15678)
  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-XXXXXXhpio7H/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              1.15678        0              1.15678        0              1.15678        1259.1144      2.6190931e+09  2.6190931e+09  2.6190931e+09  2.6190931e+09  2.6190931e+09  6.8947659e-09 -5.0304212e-06 -5.2758748e-06
Loop time of 6.01e-07 on 1 procs for 0 steps with 2 atoms

166.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.01e-07   |            |       |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:          820 ave         820 max         820 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 820
Ave neighs/atom = 410
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 629.5572091781 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: 0:00:00