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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 3.2844300 3.2844300 3.2844300
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.2844300 3.2844300 3.2844300)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.2844300 3.2844300 3.2844300)
  create_atoms CPU = 0.001 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXHO2tyT/CH.airebo with DATE: 2011-10-25

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_069621990420_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, 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) = 5.849 | 5.849 | 5.849 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0      3.28443            0      3.28443            0      3.28443 -0.046367072   -4040.5284   -4040.5284   -4040.5284   -4040.5284   -4040.5284 1.4294608e-13 -5.3317511e-13 -4.5718233e-13 
Loop time of 8.891e-06 on 1 procs for 0 steps with 2 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 8.891e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1239.00 ave        1239 max        1239 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:      820.000 ave         820 max         820 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 820
Ave neighs/atom = 410.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0231835360933511 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 3.0643610 3.0643610 3.0643610
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0643610 3.0643610 3.0643610)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0643610 3.0643610 3.0643610)
  create_atoms CPU = 0.001 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXhTD1JX/CH.airebo with DATE: 2011-10-25
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, 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) = 5.849 | 5.849 | 5.849 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     3.064361            0     3.064361            0     3.064361 -0.068516425   -6915.3102   -6915.3102   -6915.3102   -6915.3102   -6915.3102 -2.3250795e-14 -8.6259033e-13 -1.0666125e-12 
Loop time of 6.365e-06 on 1 procs for 0 steps with 2 atoms

125.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.365e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1239.00 ave        1239 max        1239 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:      1060.00 ave        1060 max        1060 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1060
Ave neighs/atom = 530.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0342582127124695 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.9279710 2.9279710 2.9279710
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9279710 2.9279710 2.9279710)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9279710 2.9279710 2.9279710)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXUyASXT/CH.airebo with DATE: 2011-10-25
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, 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) = 5.903 | 5.903 | 5.903 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.927971            0     2.927971            0     2.927971 -0.087086541   -9417.5799   -9417.5799   -9417.5799   -9417.5799   -9417.5799 -1.632741e-13 -1.5782442e-12 -1.2456408e-12 
Loop time of 7.066e-06 on 1 procs for 0 steps with 2 atoms

198.1% 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   |            | 7.066e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 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:      1216.00 ave        1216 max        1216 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1216
Ave neighs/atom = 608.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0435432706567866 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.8288770 2.8288770 2.8288770
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8288770 2.8288770 2.8288770)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8288770 2.8288770 2.8288770)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXjP3oxW/CH.airebo with DATE: 2011-10-25
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, 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) = 5.903 | 5.903 | 5.903 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.828877            0     2.828877            0     2.828877  -0.10311294   -11461.577   -11461.577   -11461.577   -11461.577   -11461.577 2.9149297e-13 -6.9214968e-13 -6.4533096e-13 
Loop time of 6.294e-06 on 1 procs for 0 steps with 2 atoms

127.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.294e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 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:      1288.00 ave        1288 max        1288 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1288
Ave neighs/atom = 644.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0515564688611945 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.7510000 2.7510000 2.7510000
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7510000 2.7510000 2.7510000)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7510000 2.7510000 2.7510000)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXo7jzUT/CH.airebo with DATE: 2011-10-25
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, 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) = 5.903 | 5.903 | 5.903 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0        2.751            0        2.751            0        2.751  -0.11705546   -13082.488   -13082.488   -13082.488   -13082.488   -13082.488 -3.6867891e-13 1.7357111e-12 5.7126979e-13 
Loop time of 6.335e-06 on 1 procs for 0 steps with 2 atoms

142.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.335e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 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:      1448.00 ave        1448 max        1448 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1448
Ave neighs/atom = 724.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.058527730280399 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.6868390 2.6868390 2.6868390
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6868390 2.6868390 2.6868390)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6868390 2.6868390 2.6868390)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXHhMtoU/CH.airebo with DATE: 2011-10-25
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, 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) = 5.913 | 5.913 | 5.913 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.686839            0     2.686839            0     2.686839  -0.12899762   -12133.513   -12133.513   -12133.513   -12133.513   -12133.513 -1.1583536e-12 -9.9911145e-13 -1.7541822e-12 
Loop time of 6.275e-06 on 1 procs for 0 steps with 2 atoms

143.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.275e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2329.00 ave        2329 max        2329 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:      1496.00 ave        1496 max        1496 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1496
Ave neighs/atom = 748.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0644988119765935 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.6322780 2.6322780 2.6322780
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6322780 2.6322780 2.6322780)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6322780 2.6322780 2.6322780)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXAzRdiW/CH.airebo with DATE: 2011-10-25
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, 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) = 5.913 | 5.913 | 5.913 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.632278            0     2.632278            0     2.632278  -0.13520853   -5622.9256   -5622.9256   -5622.9256   -5622.9256   -5622.9256 -3.293731e-12 2.5608008e-12 1.315223e-12 
Loop time of 6.174e-06 on 1 procs for 0 steps with 2 atoms

129.6% 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   |            | 6.174e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2329.00 ave        2329 max        2329 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:      1736.00 ave        1736 max        1736 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1736
Ave neighs/atom = 868.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.067604263095075 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.5848140 2.5848140 2.5848140
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5848140 2.5848140 2.5848140)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5848140 2.5848140 2.5848140)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX5bRUwX/CH.airebo with DATE: 2011-10-25
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, 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) = 5.913 | 5.913 | 5.913 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.584814            0     2.584814            0     2.584814   -0.1377988   -3603.8643   -3603.8643   -3603.8643   -3603.8643   -3603.8643 2.162968e-13 -2.1015955e-12 -1.3673258e-12 
Loop time of 6.405e-06 on 1 procs for 0 steps with 2 atoms

124.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.405e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2329.00 ave        2329 max        2329 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:      1784.00 ave        1784 max        1784 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1784
Ave neighs/atom = 892.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.06889939849207 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.5428120 2.5428120 2.5428120
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5428120 2.5428120 2.5428120)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5428120 2.5428120 2.5428120)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXuLktVU/CH.airebo with DATE: 2011-10-25
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, 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) = 5.913 | 5.913 | 5.913 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.542812            0     2.542812            0     2.542812  -0.13999312   -5513.7524   -5513.7524   -5513.7524   -5513.7524   -5513.7524 1.9208861e-12 5.650403e-12 5.8069001e-12 
Loop time of 6.295e-06 on 1 procs for 0 steps with 2 atoms

158.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.295e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2329.00 ave        2329 max        2329 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:      1880.00 ave        1880 max        1880 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1880
Ave neighs/atom = 940.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0699965581253345 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.5051440 2.5051440 2.5051440
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5051440 2.5051440 2.5051440)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5051440 2.5051440 2.5051440)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXgbIrxT/CH.airebo with DATE: 2011-10-25
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, 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) = 5.913 | 5.913 | 5.913 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.505144            0     2.505144            0     2.505144  -0.14344491    -10339.51    -10339.51    -10339.51    -10339.51    -10339.51 2.3738063e-13 3.2870743e-13 -1.6766841e-12 
Loop time of 6.926e-06 on 1 procs for 0 steps with 2 atoms

144.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.926e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2329.00 ave        2329 max        2329 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:      1880.00 ave        1880 max        1880 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1880
Ave neighs/atom = 940.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.071722456053952 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.4709980 2.4709980 2.4709980
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4709980 2.4709980 2.4709980)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4709980 2.4709980 2.4709980)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX0YCaFU/CH.airebo with DATE: 2011-10-25
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, 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) = 5.913 | 5.913 | 5.913 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.470998            0     2.470998            0     2.470998  -0.14875049   -16752.183   -16752.183   -16752.183   -16752.183   -16752.183 -1.4101662e-13 -2.6507796e-13 9.0074335e-13 
Loop time of 6.566e-06 on 1 procs for 0 steps with 2 atoms

137.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.566e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2329.00 ave        2329 max        2329 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:      1928.00 ave        1928 max        1928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1928
Ave neighs/atom = 964.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.074375245447408 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.4397710 2.4397710 2.4397710
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4397710 2.4397710 2.4397710)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4397710 2.4397710 2.4397710)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXzVaVtX/CH.airebo with DATE: 2011-10-25
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, 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) = 5.972 | 5.972 | 5.972 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.439771            0     2.439771            0     2.439771  -0.15578885   -23126.924   -23126.924   -23126.924   -23126.924   -23126.924 -5.2414193e-13 -5.0788223e-12 -2.433723e-12 
Loop time of 6.164e-06 on 1 procs for 0 steps with 2 atoms

146.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.164e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3057.00 ave        3057 max        3057 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:      2132.00 ave        2132 max        2132 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2132
Ave neighs/atom = 1066.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.077894423714464 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.4110040 2.4110040 2.4110040
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4110040 2.4110040 2.4110040)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4110040 2.4110040 2.4110040)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX4xVFSX/CH.airebo with DATE: 2011-10-25
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, 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) = 6.353 | 6.353 | 6.353 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.411004            0     2.411004            0     2.411004  -0.16386684   -27391.121   -27391.121   -27391.121   -27391.121   -27391.121 -1.0144073e-12 2.5195568e-12 1.4857833e-12 
Loop time of 6.264e-06 on 1 procs for 0 steps with 2 atoms

143.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.264e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3057.00 ave        3057 max        3057 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:      2132.00 ave        2132 max        2132 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2132
Ave neighs/atom = 1066.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.081933417949096 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.3843370 2.3843370 2.3843370
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3843370 2.3843370 2.3843370)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3843370 2.3843370 2.3843370)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXQMtZ0V/CH.airebo with DATE: 2011-10-25
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, 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) = 6.353 | 6.353 | 6.353 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.384337            0     2.384337            0     2.384337  -0.17194293   -28738.954   -28738.954   -28738.954   -28738.954   -28738.954 -1.2632761e-12 -2.0195597e-12 -9.9396139e-13 
Loop time of 6.004e-06 on 1 procs for 0 steps with 2 atoms

149.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.004e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3057.00 ave        3057 max        3057 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:      2276.00 ave        2276 max        2276 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2276
Ave neighs/atom = 1138.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.085971465881554 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.3594840 2.3594840 2.3594840
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3594840 2.3594840 2.3594840)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3594840 2.3594840 2.3594840)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX5kS7eV/CH.airebo with DATE: 2011-10-25
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, 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) = 6.353 | 6.353 | 6.353 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.359484            0     2.359484            0     2.359484  -0.17959477   -29681.279   -29681.279   -29681.279   -29681.279   -29681.279 -5.5107735e-13 6.5294504e-14 8.4965507e-13 
Loop time of 6.565e-06 on 1 procs for 0 steps with 2 atoms

137.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.565e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3057.00 ave        3057 max        3057 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:      2276.00 ave        2276 max        2276 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2276
Ave neighs/atom = 1138.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.089797384371655 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.3362140 2.3362140 2.3362140
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3362140 2.3362140 2.3362140)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3362140 2.3362140 2.3362140)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX0FwEnU/CH.airebo with DATE: 2011-10-25
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, 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) = 6.353 | 6.353 | 6.353 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.336214            0     2.336214            0     2.336214   -0.1868093   -30357.046   -30357.046   -30357.046   -30357.046   -30357.046 -2.9800999e-14 -4.6548096e-12 -7.9132296e-12 
Loop time of 7.657e-06 on 1 procs for 0 steps with 2 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.657e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3057.00 ave        3057 max        3057 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:      2484.00 ave        2484 max        2484 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2484
Ave neighs/atom = 1242.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.09340464844395 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.3143380 2.3143380 2.3143380
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3143380 2.3143380 2.3143380)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3143380 2.3143380 2.3143380)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXexKEaU/CH.airebo with DATE: 2011-10-25
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, 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) = 6.353 | 6.353 | 6.353 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.314338            0     2.314338            0     2.314338  -0.19358034    -30747.68    -30747.68    -30747.68    -30747.68    -30747.68 1.2089752e-12 1.280224e-11 8.0856713e-12 
Loop time of 5.974e-06 on 1 procs for 0 steps with 2 atoms

184.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.974e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3057.00 ave        3057 max        3057 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:      2484.00 ave        2484 max        2484 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2484
Ave neighs/atom = 1242.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0967901681089375 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.2936980 2.2936980 2.2936980
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2936980 2.2936980 2.2936980)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2936980 2.2936980 2.2936980)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXNTVkuV/CH.airebo with DATE: 2011-10-25
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, 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) = 6.353 | 6.353 | 6.353 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.293698            0     2.293698            0     2.293698  -0.32140155   -1604575.9   -1604575.9   -1604575.9   -1604575.9   -1604575.9  0.075918981  0.075918982  0.075918982 
Loop time of 6.225e-06 on 1 procs for 0 steps with 2 atoms

160.6% 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   |            | 6.225e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3057.00 ave        3057 max        3057 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:      2484.00 ave        2484 max        2484 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2484
Ave neighs/atom = 1242.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.160700777199072 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.2741610 2.2741610 2.2741610
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2741610 2.2741610 2.2741610)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2741610 2.2741610 2.2741610)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX0YpwgV/CH.airebo with DATE: 2011-10-25
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, 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) = 6.353 | 6.353 | 6.353 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.274161            0     2.274161            0     2.274161  -0.81771749   -3606832.5   -3606832.5   -3606832.5   -3606832.5   -3606832.5    4.1278772    4.1278772    4.1278772 
Loop time of 6.565e-06 on 1 procs for 0 steps with 2 atoms

152.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.565e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3057.00 ave        3057 max        3057 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:      2580.00 ave        2580 max        2580 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2580
Ave neighs/atom = 1290.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.40885874318975 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.2556160 2.2556160 2.2556160
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2556160 2.2556160 2.2556160)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2556160 2.2556160 2.2556160)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXwVawbX/CH.airebo with DATE: 2011-10-25
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, 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) = 6.353 | 6.353 | 6.353 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.255616            0     2.255616            0     2.255616   -1.6266291   -5406788.1   -5406788.1   -5406788.1   -5406788.1   -5406788.1    30.976589    30.976589    30.976589 
Loop time of 8.931e-06 on 1 procs for 0 steps with 2 atoms

145.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 8.931e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3057.00 ave        3057 max        3057 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:      2724.00 ave        2724 max        2724 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2724
Ave neighs/atom = 1362.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.813314546509755 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.2379660 2.2379660 2.2379660
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2379660 2.2379660 2.2379660)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2379660 2.2379660 2.2379660)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXCgKLxU/CH.airebo with DATE: 2011-10-25
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, 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) = 6.353 | 6.353 | 6.353 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.237966            0     2.237966            0     2.237966   -2.5792573   -5980016.6   -5980016.6   -5980016.6   -5980016.6   -5980016.6    110.76962    110.76962    110.76962 
Loop time of 6.395e-06 on 1 procs for 0 steps with 2 atoms

250.2% CPU use with 1 MPI tasks x 1 OpenMP threads

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

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3057.00 ave        3057 max        3057 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:      2724.00 ave        2724 max        2724 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2724
Ave neighs/atom = 1362.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.28962863474385 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.2211300 2.2211300 2.2211300
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2211300 2.2211300 2.2211300)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2211300 2.2211300 2.2211300)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXPnK71W/CH.airebo with DATE: 2011-10-25
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, 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) = 6.353 | 6.353 | 6.353 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0      2.22113            0      2.22113            0      2.22113   -3.6145084   -7189412.9   -7189412.9   -7189412.9   -7189412.9   -7189412.9    66.172976    66.172976    66.172977 
Loop time of 8.65e-06 on 1 procs for 0 steps with 2 atoms

219.7% 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   |            | 8.65e-06   |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3057.00 ave        3057 max        3057 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:      2820.00 ave        2820 max        2820 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2820
Ave neighs/atom = 1410.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.80725418932905 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.2050360 2.2050360 2.2050360
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2050360 2.2050360 2.2050360)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2050360 2.2050360 2.2050360)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXeyxEeU/CH.airebo with DATE: 2011-10-25
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, 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) = 6.748 | 6.748 | 6.748 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.205036            0     2.205036            0     2.205036   -4.7584655   -7980640.1   -7980640.1   -7980640.1   -7980640.1   -7980640.1    487.16163    487.16163    487.16163 
Loop time of 1.1096e-05 on 1 procs for 0 steps with 2 atoms

504.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.11e-05   |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3923.00 ave        3923 max        3923 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:      2820.00 ave        2820 max        2820 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2820
Ave neighs/atom = 1410.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.37923273071305 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.1896200 2.1896200 2.1896200
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1896200 2.1896200 2.1896200)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1896200 2.1896200 2.1896200)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXWVediV/CH.airebo with DATE: 2011-10-25
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, 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) = 6.748 | 6.748 | 6.748 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0      2.18962            0      2.18962            0      2.18962   -5.7523837    -133237.3    -133237.3    -133237.3    -133237.3    -133237.3    639.89886    655.11061    655.11061 
Loop time of 7.256e-06 on 1 procs for 0 steps with 2 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.256e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3923.00 ave        3923 max        3923 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:      2916.00 ave        2916 max        2916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2916
Ave neighs/atom = 1458.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.87619183754082 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.1740360 2.1740360 2.1740360
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1740360 2.1740360 2.1740360)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1740360 2.1740360 2.1740360)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXgMnl3U/CH.airebo with DATE: 2011-10-25
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, 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) = 6.748 | 6.748 | 6.748 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.174036            0     2.174036            0     2.174036    4.5804455     32391711     32391711     32391711     32391711     32391711   -1348300.7   -1348300.7   -1348300.7 
Loop time of 6.305e-06 on 1 procs for 0 steps with 2 atoms

222.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.305e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3923.00 ave        3923 max        3923 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:      2916.00 ave        2916 max        2916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2916
Ave neighs/atom = 1458.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 2.29022272906034 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.1579760 2.1579760 2.1579760
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1579760 2.1579760 2.1579760)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1579760 2.1579760 2.1579760)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXRdrdOT/CH.airebo with DATE: 2011-10-25
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, 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) = 6.748 | 6.748 | 6.748 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.157976            0     2.157976            0     2.157976    30.030342 1.6650862e+08 1.6650862e+08 1.6650862e+08 1.6650862e+08 1.6650862e+08   -2036132.6   -2036132.6   -2036132.6 
Loop time of 5.0516e-05 on 1 procs for 0 steps with 2 atoms

108.9% 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   |            | 5.052e-05  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3923.00 ave        3923 max        3923 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:      2916.00 ave        2916 max        2916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2916
Ave neighs/atom = 1458.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 15.0151710087754 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.1414110 2.1414110 2.1414110
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1414110 2.1414110 2.1414110)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1414110 2.1414110 2.1414110)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX1MvHMX/CH.airebo with DATE: 2011-10-25
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, 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) = 6.748 | 6.748 | 6.748 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.141411            0     2.141411            0     2.141411    72.009338     14934670     14934670     14934670     14934670     14934670   -2747410.9   -2747410.9   -2747410.9 
Loop time of 6.245e-06 on 1 procs for 0 steps with 2 atoms

208.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.245e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3923.00 ave        3923 max        3923 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:      2940.00 ave        2940 max        2940 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2940
Ave neighs/atom = 1470.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 36.0046688523487 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.1243070 2.1243070 2.1243070
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1243070 2.1243070 2.1243070)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1243070 2.1243070 2.1243070)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXWZ7BBV/CH.airebo with DATE: 2011-10-25
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, 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) = 6.748 | 6.748 | 6.748 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.124307            0     2.124307            0     2.124307    70.989043    -31826419    -31826419    -31826419    -31826419    -31826419   -3568319.1   -3568319.1   -3568319.1 
Loop time of 6.555e-06 on 1 procs for 0 steps with 2 atoms

183.1% CPU use with 1 MPI tasks x 1 OpenMP threads

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

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3923.00 ave        3923 max        3923 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:      3180.00 ave        3180 max        3180 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 3180
Ave neighs/atom = 1590.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 35.4945215078525 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.1066300 2.1066300 2.1066300
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1066300 2.1066300 2.1066300)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1066300 2.1066300 2.1066300)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXoIxUxV/CH.airebo with DATE: 2011-10-25
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, 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) = 6.748 | 6.748 | 6.748 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0      2.10663            0      2.10663            0      2.10663    65.501343    -42293620    -42293620    -42293620    -42293620    -42293620   -4457614.9   -4457614.9   -4457614.9 
Loop time of 8.199e-06 on 1 procs for 0 steps with 2 atoms

195.1% 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   |            | 8.199e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3923.00 ave        3923 max        3923 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:      3276.00 ave        3276 max        3276 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 3276
Ave neighs/atom = 1638.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 32.7506715831444 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.0883380 2.0883380 2.0883380
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0883380 2.0883380 2.0883380)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0883380 2.0883380 2.0883380)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXQ5p4xT/CH.airebo with DATE: 2011-10-25
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, 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) = 6.748 | 6.748 | 6.748 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.088338            0     2.088338            0     2.088338    58.335214    -52706967    -52706967    -52706967    -52706967    -52706967   -5341694.7   -5342776.8   -5342776.8 
Loop time of 6.264e-06 on 1 procs for 0 steps with 2 atoms

191.6% 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   |            | 6.264e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3923.00 ave        3923 max        3923 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:      3372.00 ave        3372 max        3372 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 3372
Ave neighs/atom = 1686.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 29.167606813543 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.0693870 2.0693870 2.0693870
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0693870 2.0693870 2.0693870)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0693870 2.0693870 2.0693870)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXkgbNFX/CH.airebo with DATE: 2011-10-25
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, 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) = 6.748 | 6.748 | 6.748 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.069387            0     2.069387            0     2.069387    49.515039    -61985536    -61985536    -61985536    -61985536    -61985536   -6093123.1   -6093123.1   -6093123.1 
Loop time of 6.415e-06 on 1 procs for 0 steps with 2 atoms

249.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.415e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3923.00 ave        3923 max        3923 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:      3516.00 ave        3516 max        3516 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 3516
Ave neighs/atom = 1758.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 24.7575193024653 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.0497290 2.0497290 2.0497290
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0497290 2.0497290 2.0497290)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0497290 2.0497290 2.0497290)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXGIj7VV/CH.airebo with DATE: 2011-10-25
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, 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) = 6.748 | 6.748 | 6.748 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.049729            0     2.049729            0     2.049729    39.282404    -68405415    -68405415    -68405415    -68405415    -68405415   -6543210.7   -6543210.7   -6543210.7 
Loop time of 6.274e-06 on 1 procs for 0 steps with 2 atoms

207.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.274e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3923.00 ave        3923 max        3923 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:      3612.00 ave        3612 max        3612 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 3612
Ave neighs/atom = 1806.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 19.6412021938168 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.0293090 2.0293090 2.0293090
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0293090 2.0293090 2.0293090)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0293090 2.0293090 2.0293090)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXFE0DjU/CH.airebo with DATE: 2011-10-25
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, 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) = 6.819 | 6.819 | 6.819 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.029309            0     2.029309            0     2.029309    28.233486    -69336765    -69336765    -69336765    -69336765    -69336765   -6455684.8   -6455684.8   -6455684.8 
Loop time of 9.111e-06 on 1 procs for 0 steps with 2 atoms

186.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 9.111e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4939.00 ave        4939 max        4939 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:      3672.00 ave        3672 max        3672 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 3672
Ave neighs/atom = 1836.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 14.1167428555437 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.0080640 2.0080640 2.0080640
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0080640 2.0080640 2.0080640)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0080640 2.0080640 2.0080640)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXonyZST/CH.airebo with DATE: 2011-10-25
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, 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) = 6.819 | 6.819 | 6.819 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.008064            0     2.008064            0     2.008064    17.519594    -60908122    -60908122    -60908122    -60908122    -60908122   -5542043.4   -5542043.4   -5542043.4 
Loop time of 7.467e-06 on 1 procs for 0 steps with 2 atoms

308.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.467e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4939.00 ave        4939 max        4939 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:      3784.00 ave        3784 max        3784 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 3784
Ave neighs/atom = 1892.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 8.75979678825575 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.9859260 1.9859260 1.9859260
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9859260 1.9859260 1.9859260)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9859260 1.9859260 1.9859260)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXKsbbnX/CH.airebo with DATE: 2011-10-25
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, 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) = 6.819 | 6.819 | 6.819 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     1.985926            0     1.985926            0     1.985926    9.2831587    -34645496    -34645496    -34645496    -34645496    -34645496   -3481210.4   -3481210.4   -3481210.4 
Loop time of 6.364e-06 on 1 procs for 0 steps with 2 atoms

172.8% CPU use with 1 MPI tasks x 1 OpenMP threads

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

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4939.00 ave        4939 max        4939 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:      3832.00 ave        3832 max        3832 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 3832
Ave neighs/atom = 1916.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 4.64157935935011 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.9628160 1.9628160 1.9628160
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9628160 1.9628160 1.9628160)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9628160 1.9628160 1.9628160)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXt07UWX/CH.airebo with DATE: 2011-10-25
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, 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) = 6.819 | 6.819 | 6.819 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     1.962816            0     1.962816            0     1.962816     7.376927     16029694     16029694     16029694     16029694     16029694 9.9116761e-09 1.4606112e-08 1.4139125e-08 
Loop time of 6.295e-06 on 1 procs for 0 steps with 2 atoms

174.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.295e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4939.00 ave        4939 max        4939 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:      3976.00 ave        3976 max        3976 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 3976
Ave neighs/atom = 1988.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 3.6884634963579 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.9386450 1.9386450 1.9386450
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9386450 1.9386450 1.9386450)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9386450 1.9386450 1.9386450)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXtMy0NT/CH.airebo with DATE: 2011-10-25
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, 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) = 6.819 | 6.819 | 6.819 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     1.938645            0     1.938645            0     1.938645    10.737394     23050667     23050667     23050667     23050667     23050667 6.2480232e-09 1.4170552e-08 1.3419865e-08 
Loop time of 8.509e-06 on 1 procs for 0 steps with 2 atoms

211.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 8.509e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4939.00 ave        4939 max        4939 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:      4168.00 ave        4168 max        4168 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 4168
Ave neighs/atom = 2084.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 5.3686969984117 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.9133110 1.9133110 1.9133110
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9133110 1.9133110 1.9133110)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9133110 1.9133110 1.9133110)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXXgQBXU/CH.airebo with DATE: 2011-10-25
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, 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) = 6.819 | 6.819 | 6.819 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     1.913311            0     1.913311            0     1.913311    15.449927     30579776     30579776     30579776     30579776     30579776 2.2936249e-09 1.7936567e-09 7.6712267e-09 
Loop time of 6.325e-06 on 1 procs for 0 steps with 2 atoms

189.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.325e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4939.00 ave        4939 max        4939 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:      4216.00 ave        4216 max        4216 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 4216
Ave neighs/atom = 2108.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 7.72496351154205 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.8866950 1.8866950 1.8866950
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8866950 1.8866950 1.8866950)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8866950 1.8866950 1.8866950)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXd2osPW/CH.airebo with DATE: 2011-10-25
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, 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) = 6.819 | 6.819 | 6.819 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     1.886695            0     1.886695            0     1.886695    21.682116     38802349     38802349     38802349     38802349     38802349 -3.9783536e-09 2.1797349e-09 3.6505269e-10 
Loop time of 6.325e-06 on 1 procs for 0 steps with 2 atoms

189.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.325e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4939.00 ave        4939 max        4939 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:      4456.00 ave        4456 max        4456 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 4456
Ave neighs/atom = 2228.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 10.8410582287963 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.8586620 1.8586620 1.8586620
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8586620 1.8586620 1.8586620)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8586620 1.8586620 1.8586620)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX1lBFsW/CH.airebo with DATE: 2011-10-25
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, 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) = 7.217 | 7.217 | 7.217 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     1.858662            0     1.858662            0     1.858662    29.646892     47811642     47811642     47811642     47811642     47811642 -1.1843878e-08 -6.9347668e-09 -1.0490229e-08 
Loop time of 4.6498e-05 on 1 procs for 0 steps with 2 atoms

21.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 4.65e-05   |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        6117.00 ave        6117 max        6117 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:      4840.00 ave        4840 max        4840 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 4840
Ave neighs/atom = 2420.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 14.8234458788443 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.8290530 1.8290530 1.8290530
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8290530 1.8290530 1.8290530)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8290530 1.8290530 1.8290530)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXxthfLT/CH.airebo with DATE: 2011-10-25
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, 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) = 7.599 | 7.599 | 7.599 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     1.829053            0     1.829053            0     1.829053    39.543069     57116335     57116335     57116335     57116335     57116335 3.0841132e-08 2.1316101e-08 1.9987369e-08 
Loop time of 6.234e-06 on 1 procs for 0 steps with 2 atoms

192.5% CPU use with 1 MPI tasks x 1 OpenMP threads

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

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        6117.00 ave        6117 max        6117 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:      4888.00 ave        4888 max        4888 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 4888
Ave neighs/atom = 2444.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 19.7715343280605 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.7976780 1.7976780 1.7976780
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7976780 1.7976780 1.7976780)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7976780 1.7976780 1.7976780)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXX8nopT/CH.airebo with DATE: 2011-10-25
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, 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) = 7.599 | 7.599 | 7.599 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     1.797678            0     1.797678            0     1.797678    51.408403     65349667     65349667     65349667     65349667     65349667 1.0307645e-08 -8.63451e-10 1.2017029e-08 
Loop time of 6.385e-06 on 1 procs for 0 steps with 2 atoms

172.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.385e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        6117.00 ave        6117 max        6117 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:      5368.00 ave        5368 max        5368 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 5368
Ave neighs/atom = 2684.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 25.7042016271459 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.7643140 1.7643140 1.7643140
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7643140 1.7643140 1.7643140)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7643140 1.7643140 1.7643140)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX0OdLVT/CH.airebo with DATE: 2011-10-25
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, 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) = 7.980 | 7.980 | 7.980 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     1.764314            0     1.764314            0     1.764314    64.935323     70441948     70441948     70441948     70441948     70441948 -5.6715094e-09 -7.3500448e-09 -1.298618e-08 
Loop time of 6.215e-06 on 1 procs for 0 steps with 2 atoms

193.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.215e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        6117.00 ave        6117 max        6117 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:      5464.00 ave        5464 max        5464 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 5464
Ave neighs/atom = 2732.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 32.4676616528437 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.7286920 1.7286920 1.7286920
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7286920 1.7286920 1.7286920)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7286920 1.7286920 1.7286920)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXjYJgyT/CH.airebo with DATE: 2011-10-25
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, 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) = 8.828 | 8.828 | 8.828 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     1.728692            0     1.728692            0     1.728692    79.366086     70460577     70460577     70460577     70460577     70460577 1.1396168e-08 3.1269413e-08 2.8806083e-08 
Loop time of 6.214e-06 on 1 procs for 0 steps with 2 atoms

193.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.214e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        7469.00 ave        7469 max        7469 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:      5780.00 ave        5780 max        5780 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 5780
Ave neighs/atom = 2890.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 39.6830429701553 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.6904850 1.6904850 1.6904850
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6904850 1.6904850 1.6904850)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6904850 1.6904850 1.6904850)
  create_atoms CPU = 0.001 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXXsIttT/CH.airebo with DATE: 2011-10-25
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, 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) = 8.828 | 8.828 | 8.828 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     1.690485            0     1.690485            0     1.690485    93.749656     70552490     70552490     70552490     70552490     70552490 -1.982109e-09 -1.0784051e-08 -1.7502242e-08 
Loop time of 6.505e-06 on 1 procs for 0 steps with 2 atoms

169.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.505e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        7469.00 ave        7469 max        7469 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:      6284.00 ave        6284 max        6284 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 6284
Ave neighs/atom = 3142.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 46.8748280597267 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.6492850 1.6492850 1.6492850
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6492850 1.6492850 1.6492850)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6492850 1.6492850 1.6492850)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXgl9BfX/CH.airebo with DATE: 2011-10-25
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, 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) = 8.828 | 8.828 | 8.828 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     1.649285            0     1.649285            0     1.649285    110.89658     89793472     89793472     89793472     89793472     89793472 2.4478623e-09 -3.2193578e-08 -2.9758989e-08 
Loop time of 6.725e-06 on 1 procs for 0 steps with 2 atoms

178.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.725e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        7469.00 ave        7469 max        7469 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:      6764.00 ave        6764 max        6764 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 6764
Ave neighs/atom = 3382.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 55.4482906865695 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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
# For Simulator             : LAMMPS 12 Dec 2018
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.6045860 1.6045860 1.6045860
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6045860 1.6045860 1.6045860)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6045860 1.6045860 1.6045860)
  create_atoms CPU = 0.000 seconds

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

Reading airebo potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXvFJI9T/CH.airebo with DATE: 2011-10-25
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, 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) = 10.37 | 10.37 | 10.37 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     1.604586            0     1.604586            0     1.604586    133.61483 1.1672579e+08 1.1672579e+08 1.1672579e+08 1.1672579e+08 1.1672579e+08 -1.6453256e-08 2.3080154e-08 4.2969877e-08 
Loop time of 6.214e-06 on 1 procs for 0 steps with 2 atoms

209.2% 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