LAMMPS (30 Jul 2021)
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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 3.8881500 3.8881500 3.8881500
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.8881500 3.8881500 3.8881500)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.8881500 3.8881500 3.8881500)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXMlSNlj/CH.airebo-m with DATE: 2016-03-15

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_460187474631_000#item-citation
The log file lists these citations in BibTeX format.

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.843 | 5.843 | 5.843 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0      3.88815            0      3.88815            0      3.88815 -0.0090997024   -355.19634   -355.19634   -355.19634   -355.19634   -355.19634            0            0 6.8974656e-16 
Loop time of 1.272e-06 on 1 procs for 0 steps with 1 atoms

78.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.272e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      122.000 ave         122 max         122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 122
Ave neighs/atom = 122.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.00909970237862307 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 3.6276300 3.6276300 3.6276300
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6276300 3.6276300 3.6276300)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6276300 3.6276300 3.6276300)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXAqkfNi/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.843 | 5.843 | 5.843 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0      3.62763            0      3.62763            0      3.62763 -0.010475073     605.5664     605.5664     605.5664     605.5664     605.5664            0            0 1.358844e-14 
Loop time of 4.71e-07 on 1 procs for 0 steps with 1 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 4.71e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      170.000 ave         170 max         170 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 170
Ave neighs/atom = 170.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0104750729257456 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 3.4661690 3.4661690 3.4661690
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.4661690 3.4661690 3.4661690)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.4661690 3.4661690 3.4661690)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXGr92Gk/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.843 | 5.843 | 5.843 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     3.466169            0     3.466169            0     3.466169 -0.0063909457    1026.2886    1026.2886    1026.2886    1026.2886    1026.2886            0            0 -2.0074381e-14 
Loop time of 4.91e-07 on 1 procs for 0 steps with 1 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 4.91e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      178.000 ave         178 max         178 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 178
Ave neighs/atom = 178.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.00639094566051729 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 3.3488600 3.3488600 3.3488600
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.3488600 3.3488600 3.3488600)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.3488600 3.3488600 3.3488600)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX7KiaRk/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.843 | 5.843 | 5.843 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0      3.34886            0      3.34886            0      3.34886 -0.0054286265   -391.12694   -391.12694   -391.12694   -391.12694   -391.12694            0            0 1.4727552e-14 
Loop time of 4.91e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      202.000 ave         202 max         202 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 202
Ave neighs/atom = 202.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.00542862647503414 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 3.2566690 3.2566690 3.2566690
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.2566690 3.2566690 3.2566690)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.2566690 3.2566690 3.2566690)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX8o8UBh/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.843 | 5.843 | 5.843 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     3.256669            0     3.256669            0     3.256669 -0.0067168329   -823.97457   -823.97457   -823.97457   -823.97457   -823.97457            0            0 -4.5547748e-14 
Loop time of 4.71e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      250.000 ave         250 max         250 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 250
Ave neighs/atom = 250.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.00671683292037582 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 3.1807140 3.1807140 3.1807140
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1807140 3.1807140 3.1807140)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1807140 3.1807140 3.1807140)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXk19Veh/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.843 | 5.843 | 5.843 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     3.180714            0     3.180714            0     3.180714 -0.0080685688   -1017.9736   -1017.9736   -1017.9736   -1017.9736   -1017.9736            0            0 -4.5974085e-14 
Loop time of 5.11e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      250.000 ave         250 max         250 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 250
Ave neighs/atom = 250.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.00806856882585826 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 3.1161240 3.1161240 3.1161240
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1161240 3.1161240 3.1161240)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1161240 3.1161240 3.1161240)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX9GUWxh/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.843 | 5.843 | 5.843 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     3.116124            0     3.116124            0     3.116124 -0.0094008794   -1210.0918   -1210.0918   -1210.0918   -1210.0918   -1210.0918            0            0 -7.6223281e-14 
Loop time of 4.8e-07 on 1 procs for 0 steps with 1 atoms

208.3% 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   |            | 4.8e-07    |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      250.000 ave         250 max         250 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 250
Ave neighs/atom = 250.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.00940087936615408 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 3.0599360 3.0599360 3.0599360
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0599360 3.0599360 3.0599360)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0599360 3.0599360 3.0599360)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXXU5ddh/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.843 | 5.843 | 5.843 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     3.059936            0     3.059936            0     3.059936  -0.01070663   -1396.8376   -1396.8376   -1396.8376   -1396.8376   -1396.8376            0            0 -4.1303255e-14 
Loop time of 4.91e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      250.000 ave         250 max         250 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 250
Ave neighs/atom = 250.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0107066295703641 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 3.0102130 3.0102130 3.0102130
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0102130 3.0102130 3.0102130)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0102130 3.0102130 3.0102130)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXhKJf4h/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.888 | 5.888 | 5.888 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     3.010213            0     3.010213            0     3.010213  -0.01197991    -1575.067    -1575.067    -1575.067    -1575.067    -1575.067            0            0 3.8583037e-14 
Loop time of 5.01e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      256.000 ave         256 max         256 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 256
Ave neighs/atom = 256.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0119799099903227 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.9656210 2.9656210 2.9656210
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9656210 2.9656210 2.9656210)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9656210 2.9656210 2.9656210)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXlesfrh/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.888 | 5.888 | 5.888 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.965621            0     2.965621            0     2.965621 -0.013215859   -1742.8458   -1742.8458   -1742.8458   -1742.8458   -1742.8458            0            0 -1.5087418e-14 
Loop time of 4.7e-07 on 1 procs for 0 steps with 1 atoms

212.8% 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   |            | 4.7e-07    |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      256.000 ave         256 max         256 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 256
Ave neighs/atom = 256.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0132158588541946 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.9251980 2.9251980 2.9251980
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9251980 2.9251980 2.9251980)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9251980 2.9251980 2.9251980)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXScBH6i/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.888 | 5.888 | 5.888 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.925198            0     2.925198            0     2.925198 -0.014410872   -1897.5399   -1897.5399   -1897.5399   -1897.5399   -1897.5399            0            0 -1.4699224e-13 
Loop time of 8.41e-07 on 1 procs for 0 steps with 1 atoms

237.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 8.41e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      304.000 ave         304 max         304 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 304
Ave neighs/atom = 304.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0144108717319037 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.8882320 2.8882320 2.8882320
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8882320 2.8882320 2.8882320)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8882320 2.8882320 2.8882320)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXjVOjTh/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.888 | 5.888 | 5.888 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.888232            0     2.888232            0     2.888232   -0.0155613   -2036.4928   -2036.4928   -2036.4928   -2036.4928   -2036.4928            0            0 7.9058067e-14 
Loop time of 5.91e-07 on 1 procs for 0 steps with 1 atoms

169.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.91e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      304.000 ave         304 max         304 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 304
Ave neighs/atom = 304.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0155612995046743 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.8541770 2.8541770 2.8541770
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8541770 2.8541770 2.8541770)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8541770 2.8541770 2.8541770)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXRXMGRi/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.888 | 5.888 | 5.888 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.854177            0     2.854177            0     2.854177 -0.016663935   -2157.4321   -2157.4321   -2157.4321   -2157.4321   -2157.4321            0            0 1.3417132e-14 
Loop time of 5.11e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      340.000 ave         340 max         340 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 340
Ave neighs/atom = 340.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0166639345600594 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.8226080 2.8226080 2.8226080
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8226080 2.8226080 2.8226080)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8226080 2.8226080 2.8226080)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX3n9dZi/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.888 | 5.888 | 5.888 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.822608            0     2.822608            0     2.822608 -0.017715831   -2258.1835   -2258.1835   -2258.1835   -2258.1835   -2258.1835            0            0 1.321383e-13 
Loop time of 4.9e-07 on 1 procs for 0 steps with 1 atoms

204.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 4.9e-07    |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      340.000 ave         340 max         340 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 340
Ave neighs/atom = 340.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0177158313427159 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.7931870 2.7931870 2.7931870
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7931870 2.7931870 2.7931870)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7931870 2.7931870 2.7931870)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXDgqYah/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.888 | 5.888 | 5.888 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.793187            0     2.793187            0     2.793187 -0.018714296   -2336.6631   -2336.6631   -2336.6631   -2336.6631   -2336.6631            0            0 9.3209438e-14 
Loop time of 4.81e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      364.000 ave         364 max         364 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 364
Ave neighs/atom = 364.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0187142959452081 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.7656400 2.7656400 2.7656400
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7656400 2.7656400 2.7656400)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7656400 2.7656400 2.7656400)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXKNXTOl/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.888 | 5.888 | 5.888 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0      2.76564            0      2.76564            0      2.76564 -0.019656869   -2390.8458   -2390.8458   -2390.8458   -2390.8458   -2390.8458            0            0 -2.9927839e-14 
Loop time of 4.81e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      364.000 ave         364 max         364 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 364
Ave neighs/atom = 364.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0196568692108588 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.7397430 2.7397430 2.7397430
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7397430 2.7397430 2.7397430)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7397430 2.7397430 2.7397430)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXqP64Th/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.888 | 5.888 | 5.888 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.739743            0     2.739743            0     2.739743 -0.020541242   -2418.7716   -2418.7716   -2418.7716   -2418.7716   -2418.7716            0            0 -1.7817425e-15 
Loop time of 4.81e-07 on 1 procs for 0 steps with 1 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 4.81e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      364.000 ave         364 max         364 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 364
Ave neighs/atom = 364.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0205412421781644 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.7153080 2.7153080 2.7153080
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7153080 2.7153080 2.7153080)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7153080 2.7153080 2.7153080)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXm9NL7i/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.888 | 5.888 | 5.888 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.715308            0     2.715308            0     2.715308 -0.021365329    -2418.543    -2418.543    -2418.543    -2418.543    -2418.543            0            0 -1.2206118e-13 
Loop time of 4.91e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      388.000 ave         388 max         388 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 388
Ave neighs/atom = 388.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0213653292557299 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.6921800 2.6921800 2.6921800
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6921800 2.6921800 2.6921800)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6921800 2.6921800 2.6921800)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXZw7Tki/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.888 | 5.888 | 5.888 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0      2.69218            0      2.69218            0      2.69218 -0.022127076    -2388.305    -2388.305    -2388.305    -2388.305    -2388.305            0            0 -1.685886e-14 
Loop time of 4.81e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      388.000 ave         388 max         388 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 388
Ave neighs/atom = 388.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0221270762056531 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.6702260 2.6702260 2.6702260
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6702260 2.6702260 2.6702260)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6702260 2.6702260 2.6702260)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXxwJPki/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.888 | 5.888 | 5.888 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.670226            0     2.670226            0     2.670226 -0.022824604   -2326.2287   -2326.2287   -2326.2287   -2326.2287   -2326.2287            0            0 5.771438e-15 
Loop time of 4.71e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      388.000 ave         388 max         388 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 388
Ave neighs/atom = 388.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0228246035481383 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.6493330 2.6493330 2.6493330
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6493330 2.6493330 2.6493330)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6493330 2.6493330 2.6493330)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXJGD4Nk/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.888 | 5.888 | 5.888 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.649333            0     2.649333            0     2.649333 -0.023456108   -2230.5318   -2230.5318   -2230.5318   -2230.5318   -2230.5318            0            0 1.1531221e-13 
Loop time of 7.21e-07 on 1 procs for 0 steps with 1 atoms

138.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.21e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      436.000 ave         436 max         436 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 436
Ave neighs/atom = 436.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0234561077025261 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.6294020 2.6294020 2.6294020
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6294020 2.6294020 2.6294020)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6294020 2.6294020 2.6294020)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXDr7efl/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.888 | 5.888 | 5.888 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.629402            0     2.629402            0     2.629402 -0.024019924   -2099.4542   -2099.4542   -2099.4542   -2099.4542   -2099.4542            0            0 -7.2829731e-14 
Loop time of 5.11e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      436.000 ave         436 max         436 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 436
Ave neighs/atom = 436.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0240199238294979 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.6103490 2.6103490 2.6103490
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6103490 2.6103490 2.6103490)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6103490 2.6103490 2.6103490)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX6B41Ok/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.888 | 5.888 | 5.888 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.610349            0     2.610349            0     2.610349 -0.024514404   -1931.2733   -1931.2733   -1931.2733   -1931.2733   -1931.2733            0            0 -7.4390855e-16 
Loop time of 4.81e-07 on 1 procs for 0 steps with 1 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 4.81e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      436.000 ave         436 max         436 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 436
Ave neighs/atom = 436.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0245144036387793 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.5921000 2.5921000 2.5921000
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5921000 2.5921000 2.5921000)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5921000 2.5921000 2.5921000)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXQNiM2i/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.888 | 5.888 | 5.888 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0       2.5921            0       2.5921            0       2.5921 -0.024754838   0.21787274   0.21787274   0.21787274   0.21787274   0.21787274            0            0 4.9991294e-14 
Loop time of 5.01e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      460.000 ave         460 max         460 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460
Ave neighs/atom = 460.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0247548384021867 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.5736510 2.5736510 2.5736510
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5736510 2.5736510 2.5736510)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5736510 2.5736510 2.5736510)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXtwJo5j/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.888 | 5.888 | 5.888 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.573651            0     2.573651            0     2.573651 -0.024528788    1923.1541    1923.1541    1923.1541    1923.1541    1923.1541            0            0 2.8151702e-14 
Loop time of 5.21e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      460.000 ave         460 max         460 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460
Ave neighs/atom = 460.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0245287875710478 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.5546390 2.5546390 2.5546390
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5546390 2.5546390 2.5546390)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5546390 2.5546390 2.5546390)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX6aUBXh/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.888 | 5.888 | 5.888 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.554639            0     2.554639            0     2.554639 -0.023875978    3602.6102    3602.6102    3602.6102    3602.6102    3602.6102            0            0 -2.5635773e-13 
Loop time of 5.01e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      460.000 ave         460 max         460 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460
Ave neighs/atom = 460.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0238759776156023 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.5350290 2.5350290 2.5350290
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5350290 2.5350290 2.5350290)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5350290 2.5350290 2.5350290)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXfIdCLl/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.888 | 5.888 | 5.888 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.535029            0     2.535029            0     2.535029 -0.022851587     4944.688     4944.688     4944.688     4944.688     4944.688            0            0 -8.0689596e-14 
Loop time of 4.71e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      460.000 ave         460 max         460 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460
Ave neighs/atom = 460.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0228515866969874 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.5147820 2.5147820 2.5147820
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5147820 2.5147820 2.5147820)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5147820 2.5147820 2.5147820)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXrrpfVk/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.888 | 5.888 | 5.888 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.514782            0     2.514782            0     2.514782   -0.0215375     5843.739     5843.739     5843.739     5843.739     5843.739            0            0 1.4751692e-13 
Loop time of 5.01e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      460.000 ave         460 max         460 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460
Ave neighs/atom = 460.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0215374995337687 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.4938550 2.4938550 2.4938550
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4938550 2.4938550 2.4938550)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4938550 2.4938550 2.4938550)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXdpTLLh/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.888 | 5.888 | 5.888 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.493855            0     2.493855            0     2.493855 -0.020046519    6187.2488    6187.2488    6187.2488    6187.2488    6187.2488            0            0 4.6614446e-14 
Loop time of 5.01e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      460.000 ave         460 max         460 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460
Ave neighs/atom = 460.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0200465190628447 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.4722010 2.4722010 2.4722010
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4722010 2.4722010 2.4722010)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4722010 2.4722010 2.4722010)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXJAhGej/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.888 | 5.888 | 5.888 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.472201            0     2.472201            0     2.472201 -0.018525131    5866.5972    5866.5972    5866.5972    5866.5972    5866.5972            0            0 1.0720766e-13 
Loop time of 4.81e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      484.000 ave         484 max         484 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 484
Ave neighs/atom = 484.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0185251307659563 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.4497670 2.4497670 2.4497670
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4497670 2.4497670 2.4497670)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4497670 2.4497670 2.4497670)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXh3Ixvj/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.888 | 5.888 | 5.888 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.449767            0     2.449767            0     2.449767  -0.01715252    4797.8628    4797.8628    4797.8628    4797.8628    4797.8628            0            0 -3.8229705e-13 
Loop time of 3.757e-06 on 1 procs for 0 steps with 1 atoms

79.9% 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   |            | 3.757e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      484.000 ave         484 max         484 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 484
Ave neighs/atom = 484.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0171525200151162 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.4264960 2.4264960 2.4264960
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4264960 2.4264960 2.4264960)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4264960 2.4264960 2.4264960)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXZlMuDl/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.941 | 5.941 | 5.941 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.426496            0     2.426496            0     2.426496 -0.016132563    2958.3757    2958.3757    2958.3757    2958.3757    2958.3757            0            0 -4.8959251e-14 
Loop time of 6.82e-07 on 1 procs for 0 steps with 1 atoms

146.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.82e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1727.00 ave        1727 max        1727 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      514.000 ave         514 max         514 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 514
Ave neighs/atom = 514.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0161325629916284 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.4023220 2.4023220 2.4023220
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4023220 2.4023220 2.4023220)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4023220 2.4023220 2.4023220)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX6TQDWh/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.941 | 5.941 | 5.941 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.402322            0     2.402322            0     2.402322 -0.015670934    458.06193    458.06193    458.06193    458.06193    458.06193            0            0 3.323795e-14 
Loop time of 4.71e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1727.00 ave        1727 max        1727 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      514.000 ave         514 max         514 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 514
Ave neighs/atom = 514.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0156709342213473 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.3771720 2.3771720 2.3771720
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3771720 2.3771720 2.3771720)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3771720 2.3771720 2.3771720)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXc41Guk/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.941 | 5.941 | 5.941 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.377172            0     2.377172            0     2.377172 -0.015925847   -2345.8264   -2345.8264   -2345.8264   -2345.8264   -2345.8264            0            0 1.6615415e-13 
Loop time of 4.71e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1727.00 ave        1727 max        1727 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      586.000 ave         586 max         586 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 586
Ave neighs/atom = 586.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0159258466321875 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.3509650 2.3509650 2.3509650
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3509650 2.3509650 2.3509650)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3509650 2.3509650 2.3509650)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXTYE9Oh/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.941 | 5.941 | 5.941 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.350965            0     2.350965            0     2.350965 -0.016911035   -4644.1021   -4644.1021   -4644.1021   -4644.1021   -4644.1021            0            0 -7.046604e-14 
Loop time of 4.71e-07 on 1 procs for 0 steps with 1 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 4.71e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1727.00 ave        1727 max        1727 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      586.000 ave         586 max         586 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 586
Ave neighs/atom = 586.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0169110351202574 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.3236070 2.3236070 2.3236070
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3236070 2.3236070 2.3236070)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3236070 2.3236070 2.3236070)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXUWcFpk/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.941 | 5.941 | 5.941 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.323607            0     2.323607            0     2.323607 -0.018340851   -5387.4091   -5387.4091   -5387.4091   -5387.4091   -5387.4091            0            0 2.5115622e-13 
Loop time of 4.71e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1727.00 ave        1727 max        1727 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      618.000 ave         618 max         618 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 618
Ave neighs/atom = 618.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0183408508220778 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.2949930 2.2949930 2.2949930
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2949930 2.2949930 2.2949930)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2949930 2.2949930 2.2949930)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXoC8Ukh/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.941 | 5.941 | 5.941 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.294993            0     2.294993            0     2.294993 -0.019952648   -5900.8297   -5900.8297   -5900.8297   -5900.8297   -5900.8297            0            0 1.3140939e-13 
Loop time of 4.91e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1727.00 ave        1727 max        1727 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      618.000 ave         618 max         618 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 618
Ave neighs/atom = 618.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0199526484476016 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.2650010 2.2650010 2.2650010
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2650010 2.2650010 2.2650010)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2650010 2.2650010 2.2650010)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXbtB8qk/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.941 | 5.941 | 5.941 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.265001            0     2.265001            0     2.265001  -0.02175635   -6461.4452   -6461.4452   -6461.4452   -6461.4452   -6461.4452            0            0 -6.297898e-14 
Loop time of 4.71e-07 on 1 procs for 0 steps with 1 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 4.71e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1727.00 ave        1727 max        1727 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      690.000 ave         690 max         690 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 690
Ave neighs/atom = 690.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0217563497811254 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.2334940 2.2334940 2.2334940
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2334940 2.2334940 2.2334940)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2334940 2.2334940 2.2334940)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXe6FDGl/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.941 | 5.941 | 5.941 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.233494            0     2.233494            0     2.233494 -0.023774163   -7063.3525   -7063.3525   -7063.3525   -7063.3525   -7063.3525            0            0 -1.7064534e-13 
Loop time of 4.91e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1727.00 ave        1727 max        1727 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      690.000 ave         690 max         690 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 690
Ave neighs/atom = 690.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0237741627851046 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.2003080 2.2003080 2.2003080
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2003080 2.2003080 2.2003080)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2003080 2.2003080 2.2003080)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXXkVNll/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.941 | 5.941 | 5.941 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.200308            0     2.200308            0     2.200308 -0.026027255    -7692.303    -7692.303    -7692.303    -7692.303    -7692.303            0            0 -9.3152309e-14 
Loop time of 4.71e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1727.00 ave        1727 max        1727 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      738.000 ave         738 max         738 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 738
Ave neighs/atom = 738.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0260272549865292 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.1652560 2.1652560 2.1652560
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1652560 2.1652560 2.1652560)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1652560 2.1652560 2.1652560)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXfjOWmi/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.941 | 5.941 | 5.941 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.165256            0     2.165256            0     2.165256 -0.028531658   -8317.1663   -8317.1663   -8317.1663   -8317.1663   -8317.1663            0            0 2.4955243e-13 
Loop time of 4.71e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1727.00 ave        1727 max        1727 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      738.000 ave         738 max         738 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 738
Ave neighs/atom = 738.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0285316580658256 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.1281140 2.1281140 2.1281140
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1281140 2.1281140 2.1281140)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1281140 2.1281140 2.1281140)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXISlMKk/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.941 | 5.941 | 5.941 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.128114            0     2.128114            0     2.128114 -0.031287433   -8576.7876   -8576.7876   -8576.7876   -8576.7876   -8576.7876            0            0 -3.0587804e-13 
Loop time of 4.81e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1727.00 ave        1727 max        1727 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      750.000 ave         750 max         750 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 750
Ave neighs/atom = 750.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0312874330043664 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.0886180 2.0886180 2.0886180
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0886180 2.0886180 2.0886180)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0886180 2.0886180 2.0886180)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX5aJiIi/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.941 | 5.941 | 5.941 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.088618            0     2.088618            0     2.088618 -0.033244521   -3692.8326   -3692.8326   -3692.8326   -3692.8326   -3692.8326            0            0 -8.2617529e-13 
Loop time of 5.11e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1727.00 ave        1727 max        1727 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      846.000 ave         846 max         846 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 846
Ave neighs/atom = 846.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0332445205394512 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.0464480 2.0464480 2.0464480
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0464480 2.0464480 2.0464480)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0464480 2.0464480 2.0464480)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX4CL8Wi/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 5.941 | 5.941 | 5.941 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.046448            0     2.046448            0     2.046448 -0.034062821   -1844.3946   -1844.3946   -1844.3946   -1844.3946   -1844.3946            0            0 -6.086766e-13 
Loop time of 4.81e-07 on 1 procs for 0 steps with 1 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 4.81e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1727.00 ave        1727 max        1727 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      894.000 ave         894 max         894 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 894
Ave neighs/atom = 894.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0340628205915394 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.0012170 2.0012170 2.0012170
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0012170 2.0012170 2.0012170)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0012170 2.0012170 2.0012170)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXMFsTPi/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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) = 6.016 | 6.016 | 6.016 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.001217            0     2.001217            0     2.001217 -0.035098876    -5122.301    -5122.301    -5122.301    -5122.301    -5122.301            0            0 -1.2304941e-12 
Loop time of 4.9e-07 on 1 procs for 0 steps with 1 atoms

204.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 4.9e-07    |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2743.00 ave        2743 max        2743 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      948.000 ave         948 max         948 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 948
Ave neighs/atom = 948.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0350988764318364 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.9524450 1.9524450 1.9524450
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9524450 1.9524450 1.9524450)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9524450 1.9524450 1.9524450)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXNptBgk/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 6.016 | 6.016 | 6.016 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     1.952445            0     1.952445            0     1.952445  -0.59750247   -3273231.5   -3273231.5   -3273231.5   -3273231.5   -3273231.5            0 -1.4937027e-12 6.9527304e-13 
Loop time of 4.91e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2743.00 ave        2743 max        2743 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1020.00 ave        1020 max        1020 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1020
Ave neighs/atom = 1020.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.597502467521003 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.8995300 1.8995300 1.8995300
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8995300 1.8995300 1.8995300)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8995300 1.8995300 1.8995300)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXcIaFNh/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 6.016 | 6.016 | 6.016 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0      1.89953            0      1.89953            0      1.89953   -2.1553469   -5217873.2   -5217873.2   -5217873.2   -5217873.2   -5217873.2 -1.2976337e-11 1.2976337e-11 1.3245173e-11 
Loop time of 5.01e-07 on 1 procs for 0 steps with 1 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.01e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2743.00 ave        2743 max        2743 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1140.00 ave        1140 max        1140 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1140
Ave neighs/atom = 1140.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.15534692256822 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.8417020 1.8417020 1.8417020
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8417020 1.8417020 1.8417020)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8417020 1.8417020 1.8417020)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXft2LQi/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 6.016 | 6.016 | 6.016 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     1.841702            0     1.841702            0     1.841702   -1.9097544     26649211     26649211     26649211     26649211     26649211 6.2644823e-10 1.7084952e-10 -2.2210357e-09 
Loop time of 4.71e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2743.00 ave        2743 max        2743 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1212.00 ave        1212 max        1212 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1212
Ave neighs/atom = 1212.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.90975443273295 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.7779550 1.7779550 1.7779550
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7779550 1.7779550 1.7779550)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7779550 1.7779550 1.7779550)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXwtrYjk/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 6.398 | 6.398 | 6.398 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     1.777955            0     1.777955            0     1.777955   -2.2639668   -4424573.8   -4424573.8   -4424573.8   -4424573.8   -4424573.8 -1.265955e-10            0 -1.2611993e-10 
Loop time of 5.1e-07 on 1 procs for 0 steps with 1 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.1e-07    |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2743.00 ave        2743 max        2743 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1356.00 ave        1356 max        1356 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1356
Ave neighs/atom = 1356.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.26396684546607 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.7069370 1.7069370 1.7069370
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7069370 1.7069370 1.7069370)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7069370 1.7069370 1.7069370)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXPN6Lhl/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 6.864 | 6.864 | 6.864 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     1.706937            0     1.706937            0     1.706937   -3.0990929    1113253.1    1113253.1    1113253.1    1113253.1    1113253.1 7.1531627e-11 7.1531627e-11 1.0596432e-12 
Loop time of 4.81e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4095.00 ave        4095 max        4095 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1550.00 ave        1550 max        1550 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1550
Ave neighs/atom = 1550.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.09909294762977 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.6267740 1.6267740 1.6267740
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6267740 1.6267740 1.6267740)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6267740 1.6267740 1.6267740)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXnKE5Aj/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 6.864 | 6.864 | 6.864 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     1.626774            0     1.626774            0     1.626774   -1.9686429    3914578.3    3914578.3    3914578.3    3914578.3    3914578.3            0            0 -1.8739403e-12 
Loop time of 4.81e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4095.00 ave        4095 max        4095 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1790.00 ave        1790 max        1790 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1790
Ave neighs/atom = 1790.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.96864290818344 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.5347570 1.5347570 1.5347570
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5347570 1.5347570 1.5347570)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5347570 1.5347570 1.5347570)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX2Y0BYh/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 6.864 | 6.864 | 6.864 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     1.534757            0     1.534757            0     1.534757   0.56728434    8445025.9    8445025.9    8445025.9    8445025.9    8445025.9            0            0 -4.2273088e-11 
Loop time of 5.41e-07 on 1 procs for 0 steps with 1 atoms

184.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.41e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4095.00 ave        4095 max        4095 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      2102.00 ave        2102 max        2102 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2102
Ave neighs/atom = 2102.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.567284338172053 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.4267620 1.4267620 1.4267620
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.4267620 1.4267620 1.4267620)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.4267620 1.4267620 1.4267620)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXplRguk/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.726 | 7.726 | 7.726 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     1.426762            0     1.426762            0     1.426762    6.3741158     19394041     19394041     19394041     19394041     19394041 8.5167916e-11 8.5167916e-11 -6.8224744e-11 
Loop time of 4.91e-07 on 1 procs for 0 steps with 1 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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5831.00 ave        5831 max        5831 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      2600.00 ave        2600 max        2600 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2600
Ave neighs/atom = 2600.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 6.37411581996568 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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
# For Simulator             : LAMMPS 17 Nov 2016
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.2960500 1.2960500 1.2960500
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.2960500 1.2960500 1.2960500)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.2960500 1.2960500 1.2960500)
  create_atoms CPU = 0.000 seconds

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

Reading airebo/morse potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXmMqxAi/CH.airebo-m with DATE: 2016-03-15
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12.2
  ghost atom cutoff = 12.2
  binsize = 6.1, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, 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:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 9.750 | 9.750 | 9.750 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0      1.29605            0      1.29605            0      1.29605    70.153823 2.4383031e+08 2.4383031e+08 2.4384723e+08 2.4382185e+08 2.4382185e+08   -25383.147   -25383.147   -50766.293 
Loop time of 8.61e-07 on 1 procs for 0 steps with 1 atoms

116.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 8.61e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        7999.00 ave        7999 max        7999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      3430.00 ave        3430 max        3430 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 3430
Ave neighs/atom = 3430.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 70.1538234090875 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: 0:00:02