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.

Lattice spacing in x,y,z = 3.1397700 3.1397700 3.1397700
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1397700 3.1397700 3.1397700)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1397700 3.1397700 3.1397700)
  create_atoms CPU = 0.001 seconds

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


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/MO_105008013807_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 = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.083 | 5.083 | 5.083 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0      3.13977            0      3.13977            0      3.13977            0            0            0            0            0            0            0            0            0 
Loop time of 9.021e-06 on 1 procs for 0 steps with 4 atoms

88.7% 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   |            | 9.021e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        168.000 ave         168 max         168 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:      168.000 ave         168 max         168 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 168
Ave neighs/atom = 42.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.9293940 2.9293940 2.9293940
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9293940 2.9293940 2.9293940)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9293940 2.9293940 2.9293940)
  create_atoms CPU = 0.001 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.083 | 5.083 | 5.083 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.929394            0     2.929394            0     2.929394  -0.24431833   -702958.06   -702958.06   -702958.06   -702958.06   -702958.06            0            0 2.8303961e-11 
Loop time of 7.147e-06 on 1 procs for 0 steps with 4 atoms

84.0% 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   |            | 7.147e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        168.000 ave         168 max         168 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:      168.000 ave         168 max         168 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 168
Ave neighs/atom = 42.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0610795832060112 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.7990110 2.7990110 2.7990110
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7990110 2.7990110 2.7990110)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7990110 2.7990110 2.7990110)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.083 | 5.083 | 5.083 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.799011            0     2.799011            0     2.799011   -2.2095681   -780726.02   -780726.02   -780726.02   -780726.02   -780726.02 7.3004441e-11 -2.8390616e-11 -2.8390616e-11 
Loop time of 6.725e-06 on 1 procs for 0 steps with 4 atoms

74.3% 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   |            | 6.725e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        168.000 ave         168 max         168 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:      216.000 ave         216 max         216 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 216
Ave neighs/atom = 54.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.552392020589435 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.7042810 2.7042810 2.7042810
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7042810 2.7042810 2.7042810)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7042810 2.7042810 2.7042810)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.704281            0     2.704281            0     2.704281   -2.8733024   -287510.17   -287510.17   -287510.17   -287510.17   -287510.17 1.3491381e-11 -1.7988508e-11 1.9112789e-11 
Loop time of 6.335e-06 on 1 procs for 0 steps with 4 atoms

189.4% 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   |            | 6.335e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 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:      216.000 ave         216 max         216 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 216
Ave neighs/atom = 54.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.718325601776817 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.6298350 2.6298350 2.6298350
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6298350 2.6298350 2.6298350)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6298350 2.6298350 2.6298350)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.629835            0     2.629835            0     2.629835   -3.1350986   -272721.44   -272721.44   -272721.44   -272721.44   -272721.44 4.2787129e-11 -1.2224894e-12 9.7799151e-12 
Loop time of 6.565e-06 on 1 procs for 0 steps with 4 atoms

76.2% 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   |            | 6.565e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 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:      216.000 ave         216 max         216 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 216
Ave neighs/atom = 54.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.78377465500054 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.5684990 2.5684990 2.5684990
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5684990 2.5684990 2.5684990)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5684990 2.5684990 2.5684990)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.568499            0     2.568499            0     2.568499   -3.3552056   -294774.58   -294774.58   -294774.58   -294774.58   -294774.58 1.5746123e-11 4.1989662e-11 4.1989662e-11 
Loop time of 6.625e-06 on 1 procs for 0 steps with 4 atoms

90.6% 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   |            | 6.625e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 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:      312.000 ave         312 max         312 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 312
Ave neighs/atom = 78.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.838801410957903 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.5163410 2.5163410 2.5163410
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5163410 2.5163410 2.5163410)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5163410 2.5163410 2.5163410)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.516341            0     2.516341            0     2.516341   -3.5470914   -313144.01   -313144.01   -313144.01   -313144.01   -313144.01 -1.3954752e-11 1.0884706e-10 1.0605611e-10 
Loop time of 6.284e-06 on 1 procs for 0 steps with 4 atoms

63.7% 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   |            | 6.284e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 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:      312.000 ave         312 max         312 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 312
Ave neighs/atom = 78.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.88677285096508 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.4709680 2.4709680 2.4709680
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4709680 2.4709680 2.4709680)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4709680 2.4709680 2.4709680)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.470968            0     2.470968            0     2.470968    -3.716571   -328378.25   -328378.25   -328378.25   -328378.25   -328378.25 -1.3263915e-11 -2.5054063e-11 -5.8950736e-12 
Loop time of 6.305e-06 on 1 procs for 0 steps with 4 atoms

79.3% 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   |            | 6.305e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 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:      312.000 ave         312 max         312 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 312
Ave neighs/atom = 78.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.9291427551164 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.4308160 2.4308160 2.4308160
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4308160 2.4308160 2.4308160)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4308160 2.4308160 2.4308160)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.430816            0     2.430816            0     2.430816   -3.8677243   -340880.22   -340880.22   -340880.22   -340880.22   -340880.22 -1.5480121e-11 -7.5852591e-11            0 
Loop time of 6.445e-06 on 1 procs for 0 steps with 4 atoms

62.1% 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   |            | 6.445e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 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:      312.000 ave         312 max         312 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 312
Ave neighs/atom = 78.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.966931076596278 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.3948070 2.3948070 2.3948070
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3948070 2.3948070 2.3948070)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3948070 2.3948070 2.3948070)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.394807            0     2.394807            0     2.394807   -4.0035403   -350957.74   -350957.74   -350957.74   -350957.74   -350957.74 -3.0759031e-11 1.5541405e-10 1.6188963e-10 
Loop time of 6.505e-06 on 1 procs for 0 steps with 4 atoms

184.5% 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   |            | 6.505e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 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:      312.000 ave         312 max         312 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 312
Ave neighs/atom = 78.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.00088507389504 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.3621650 2.3621650 2.3621650
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3621650 2.3621650 2.3621650)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3621650 2.3621650 2.3621650)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.362165            0     2.362165            0     2.362165   -4.1262907   -358853.77   -358853.77   -358853.77   -358853.77   -358853.77 -3.3738821e-11 -5.2295173e-11 -1.3326834e-10 
Loop time of 6.676e-06 on 1 procs for 0 steps with 4 atoms

74.9% 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   |            | 6.676e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 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:      344.000 ave         344 max         344 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 344
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.03157268359771 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.3323130 2.3323130 2.3323130
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3323130 2.3323130 2.3323130)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3323130 2.3323130 2.3323130)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.332313            0     2.332313            0     2.332313   -4.2377481   -364764.52   -364764.52   -364764.52   -364764.52   -364764.52 -2.1030585e-11 -6.6596852e-11 -1.1742076e-10 
Loop time of 6.455e-06 on 1 procs for 0 steps with 4 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.455e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 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:      344.000 ave         344 max         344 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 344
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.05943702186809 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.3048130 2.3048130 2.3048130
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3048130 2.3048130 2.3048130)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3048130 2.3048130 2.3048130)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.304813            0     2.304813            0     2.304813    -4.339316   -368851.18   -368851.18   -368851.18   -368851.18   -368851.18 -1.6344289e-11 1.470986e-10 1.1622605e-10 
Loop time of 6.425e-06 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 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:      344.000 ave         344 max         344 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 344
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.0848290053958 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.2793210 2.2793210 2.2793210
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2793210 2.2793210 2.2793210)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2793210 2.2793210 2.2793210)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.279321            0     2.279321            0     2.279321   -4.4321424    -371249.3    -371249.3    -371249.3    -371249.3    -371249.3 1.0139298e-10 -1.9152007e-10 -8.2616502e-11 
Loop time of 6.444e-06 on 1 procs for 0 steps with 4 atoms

77.6% 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   |            | 6.444e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 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:      344.000 ave         344 max         344 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 344
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.10803560016958 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.2555630 2.2555630 2.2555630
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2555630 2.2555630 2.2555630)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2555630 2.2555630 2.2555630)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.255563            0     2.255563            0     2.255563   -4.5171751   -372073.92   -372073.92   -372073.92   -372073.92   -372073.92 1.356325e-11 -1.0269318e-10 1.7438464e-11 
Loop time of 6.375e-06 on 1 procs for 0 steps with 4 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.375e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 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:      344.000 ave         344 max         344 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 344
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.12929376679466 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.2333180 2.2333180 2.2333180
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2333180 2.2333180 2.2333180)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2333180 2.2333180 2.2333180)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.233318            0     2.233318            0     2.233318   -4.5952043   -371423.81   -371423.81   -371423.81   -371423.81   -371423.81 -3.3933435e-11 -1.916241e-10 -8.5831629e-11 
Loop time of 6.475e-06 on 1 procs for 0 steps with 4 atoms

77.2% 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   |            | 6.475e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 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:      344.000 ave         344 max         344 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 344
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.14880106584283 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.2124050 2.2124050 2.2124050
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2124050 2.2124050 2.2124050)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2124050 2.2124050 2.2124050)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.212405            0     2.212405            0     2.212405   -4.6668976    -369384.8    -369384.8    -369384.8    -369384.8    -369384.8 8.2129031e-12 1.6015161e-10 1.8889677e-10 
Loop time of 6.445e-06 on 1 procs for 0 steps with 4 atoms

201.7% 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   |            | 6.445e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 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:      344.000 ave         344 max         344 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 344
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.1667243987369 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.1926740 2.1926740 2.1926740
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1926740 2.1926740 2.1926740)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1926740 2.1926740 2.1926740)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.192674            0     2.192674            0     2.192674   -4.7328248   -366032.24   -366032.24   -366032.24   -366032.24   -366032.24 -1.1389434e-10 2.4044362e-10 2.1513376e-10 
Loop time of 6.545e-06 on 1 procs for 0 steps with 4 atoms

61.1% 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   |            | 6.545e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 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:      344.000 ave         344 max         344 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 344
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.18320618943464 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.1739970 2.1739970 2.1739970
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1739970 2.1739970 2.1739970)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1739970 2.1739970 2.1739970)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.173997            0     2.173997            0     2.173997    -4.793484   -361432.28   -361432.28   -361432.28   -361432.28   -361432.28 -1.2118303e-10 3.245974e-10 3.0295757e-10 
Loop time of 6.696e-06 on 1 procs for 0 steps with 4 atoms

194.1% 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   |            | 6.696e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 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:      536.000 ave         536 max         536 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 536
Ave neighs/atom = 134.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.198370991504 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.1562690 2.1562690 2.1562690
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1562690 2.1562690 2.1562690)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1562690 2.1562690 2.1562690)
  create_atoms CPU = 0.001 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.156269            0     2.156269            0     2.156269   -4.8492968   -355644.58   -355644.58   -355644.58   -355644.58   -355644.58 4.4355939e-12 -1.2641443e-10 -1.0867205e-10 
Loop time of 6.355e-06 on 1 procs for 0 steps with 4 atoms

188.8% 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   |            | 6.355e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 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:      536.000 ave         536 max         536 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 536
Ave neighs/atom = 134.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.21232420551068 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.1393970 2.1393970 2.1393970
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1393970 2.1393970 2.1393970)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1393970 2.1393970 2.1393970)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.139397            0     2.139397            0     2.139397   -4.9006431   -348721.72   -348721.72   -348721.72   -348721.72   -348721.72 -7.7203212e-11 -1.2942891e-10 -1.3397028e-10 
Loop time of 6.485e-06 on 1 procs for 0 steps with 4 atoms

200.5% 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   |            | 6.485e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 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:      536.000 ave         536 max         536 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 536
Ave neighs/atom = 134.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.2251607724497 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.1233020 2.1233020 2.1233020
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1233020 2.1233020 2.1233020)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1233020 2.1233020 2.1233020)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.123302            0     2.123302            0     2.123302   -4.9478536   -340711.26   -340711.26   -340711.26   -340711.26   -340711.26 4.8776944e-11 -1.2310372e-10 -6.9681349e-12 
Loop time of 4.2158e-05 on 1 procs for 0 steps with 4 atoms

111.5% 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   |            | 4.216e-05  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 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:      536.000 ave         536 max         536 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 536
Ave neighs/atom = 134.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.23696339658992 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.1079170 2.1079170 2.1079170
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1079170 2.1079170 2.1079170)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1079170 2.1079170 2.1079170)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.107917            0     2.107917            0     2.107917   -4.9912172    -331657.2    -331657.2    -331657.2    -331657.2    -331657.2 -1.4481045e-10 -1.4955834e-10 -1.4243651e-11 
Loop time of 6.585e-06 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 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:      536.000 ave         536 max         536 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 536
Ave neighs/atom = 134.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.24780431195689 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.0931800 2.0931800 2.0931800
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0931800 2.0931800 2.0931800)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0931800 2.0931800 2.0931800)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0      2.09318            0      2.09318            0      2.09318    -5.022044    206.99843    206.99843    206.99843    206.99843    206.99843 -2.169871e-10 3.5517999e-10 3.491189e-10 
Loop time of 6.485e-06 on 1 procs for 0 steps with 4 atoms

77.1% 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   |            | 6.485e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 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:      536.000 ave         536 max         536 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 536
Ave neighs/atom = 134.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.25551098834077 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.0782820 2.0782820 2.0782820
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0782820 2.0782820 2.0782820)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0782820 2.0782820 2.0782820)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.078282            0     2.078282            0     2.078282   -4.9770913    747268.24    747268.24    747268.24    747268.24    747268.24 1.9567902e-10 4.1860448e-10 3.4181905e-10 
Loop time of 7.257e-06 on 1 procs for 0 steps with 4 atoms

179.1% 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   |            | 7.257e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 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:      536.000 ave         536 max         536 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 536
Ave neighs/atom = 134.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.24427281845211 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.0629290 2.0629290 2.0629290
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0629290 2.0629290 2.0629290)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0629290 2.0629290 2.0629290)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.062929            0     2.062929            0     2.062929   -4.8372677    1519160.2    1519160.2    1519160.2    1519160.2    1519160.2 1.8615088e-10 2.7226149e-10 1.9121621e-10 
Loop time of 6.566e-06 on 1 procs for 0 steps with 4 atoms

60.9% 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   |            | 6.566e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 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:      536.000 ave         536 max         536 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 536
Ave neighs/atom = 134.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.20931691863049 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.0470940 2.0470940 2.0470940
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0470940 2.0470940 2.0470940)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0470940 2.0470940 2.0470940)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.047094            0     2.047094            0     2.047094   -4.5999218    2259893.6    2259893.6    2259893.6    2259893.6    2259893.6 -1.4255417e-10 -1.7884069e-10 2.8510835e-10 
Loop time of 6.425e-06 on 1 procs for 0 steps with 4 atoms

62.3% 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   |            | 6.425e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 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:      560.000 ave         560 max         560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 560
Ave neighs/atom = 140.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.14998044558284 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.0307440 2.0307440 2.0307440
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0307440 2.0307440 2.0307440)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0307440 2.0307440 2.0307440)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.030744            0     2.030744            0     2.030744   -4.2693958    2913251.7    2913251.7    2913251.7    2913251.7    2913251.7 1.9281961e-10 -9.5970072e-10 -7.4738343e-10 
Loop time of 6.405e-06 on 1 procs for 0 steps with 4 atoms

62.5% 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   |            | 6.405e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 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:      560.000 ave         560 max         560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 560
Ave neighs/atom = 140.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.0673489623273 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.0138450 2.0138450 2.0138450
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0138450 2.0138450 2.0138450)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0138450 2.0138450 2.0138450)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.013845            0     2.013845            0     2.013845   -3.8573075    3426636.6    3426636.6    3426636.6    3426636.6    3426636.6 -1.0345133e-10 1.8444283e-10 -2.5658652e-10 
Loop time of 6.555e-06 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 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:      560.000 ave         560 max         560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 560
Ave neighs/atom = 140.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.964326886961505 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.9963590 1.9963590 1.9963590
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9963590 1.9963590 1.9963590)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9963590 1.9963590 1.9963590)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.996359            0     1.996359            0     1.996359   -3.3824488    3751941.7    3751941.7    3751941.7    3751941.7    3751941.7 2.3194914e-10 3.2137531e-10 2.878405e-10 
Loop time of 6.515e-06 on 1 procs for 0 steps with 4 atoms

199.5% 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   |            | 6.515e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 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:      560.000 ave         560 max         560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 560
Ave neighs/atom = 140.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.845612203503788 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.9782430 1.9782430 1.9782430
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9782430 1.9782430 1.9782430)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9782430 1.9782430 1.9782430)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.978243            0     1.978243            0     1.978243   -2.8707662    3844108.5    3844108.5    3844108.5    3844108.5    3844108.5 7.7545295e-11 -7.4673247e-11            0 
Loop time of 6.244e-06 on 1 procs for 0 steps with 4 atoms

224.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.244e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 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:      560.000 ave         560 max         560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 560
Ave neighs/atom = 140.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.717691537563515 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.9594510 1.9594510 1.9594510
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9594510 1.9594510 1.9594510)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9594510 1.9594510 1.9594510)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.959451            0     1.959451            0     1.959451   -2.3556462    3660127.1    3660127.1    3660127.1    3660127.1    3660127.1 1.3595188e-10 3.0441399e-10 2.8077018e-10 
Loop time of 6.345e-06 on 1 procs for 0 steps with 4 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.345e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 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:      560.000 ave         560 max         560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 560
Ave neighs/atom = 140.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.58891154687443 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.9399300 1.9399300 1.9399300
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9399300 1.9399300 1.9399300)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9399300 1.9399300 1.9399300)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0      1.93993            0      1.93993            0      1.93993   -1.8780108    3161263.6    3161263.6    3161263.6    3161263.6    3161263.6 2.3755656e-10 4.6902192e-10 6.7003132e-11 
Loop time of 6.605e-06 on 1 procs for 0 steps with 4 atoms

60.6% 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   |            | 6.605e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 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:      560.000 ave         560 max         560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 560
Ave neighs/atom = 140.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.469502696557077 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.9196210 1.9196210 1.9196210
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9196210 1.9196210 1.9196210)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9196210 1.9196210 1.9196210)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.919621            0     1.919621            0     1.919621   -1.4859334    2320361.1    2320361.1    2320361.1    2320361.1    2320361.1 6.5380383e-10 -1.1944493e-10 4.2748712e-10 
Loop time of 6.375e-06 on 1 procs for 0 steps with 4 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.375e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 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:      704.000 ave         704 max         704 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704
Ave neighs/atom = 176.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.37148333825927 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.8984580 1.8984580 1.8984580
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8984580 1.8984580 1.8984580)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8984580 1.8984580 1.8984580)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.898458            0     1.898458            0     1.898458   -1.2321311      1241520      1241520      1241520      1241520      1241520 7.1490824e-11 -3.8994995e-10 -2.7946413e-10 
Loop time of 6.054e-06 on 1 procs for 0 steps with 4 atoms

66.1% 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   |            | 6.054e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 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:      704.000 ave         704 max         704 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704
Ave neighs/atom = 176.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.308032782863883 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.8763650 1.8763650 1.8763650
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8763650 1.8763650 1.8763650)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8763650 1.8763650 1.8763650)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.876365            0     1.876365            0     1.876365   -1.0373288    1405660.9    1405660.9    1405660.9    1405660.9    1405660.9 2.4906365e-10 -1.6828625e-10 -6.058305e-11 
Loop time of 6.375e-06 on 1 procs for 0 steps with 4 atoms

188.2% 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   |            | 6.375e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 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:      704.000 ave         704 max         704 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704
Ave neighs/atom = 176.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.259332192679555 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.8532590 1.8532590 1.8532590
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8532590 1.8532590 1.8532590)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8532590 1.8532590 1.8532590)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.853259            0     1.853259            0     1.853259  -0.81181874    1596173.2    1596173.2    1596173.2    1596173.2    1596173.2 -5.4493769e-10 -2.4452332e-10 -6.9863806e-12 
Loop time of 6.986e-06 on 1 procs for 0 steps with 4 atoms

186.1% 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   |            | 6.986e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 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:      704.000 ave         704 max         704 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704
Ave neighs/atom = 176.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.202954686198201 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.8290400 1.8290400 1.8290400
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8290400 1.8290400 1.8290400)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8290400 1.8290400 1.8290400)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0      1.82904            0      1.82904            0      1.82904  -0.54972426    1818776.3    1818776.3    1818776.3    1818776.3    1818776.3 5.8867556e-10 -1.1119427e-09 -7.3402755e-10 
Loop time of 6.335e-06 on 1 procs for 0 steps with 4 atoms

78.9% 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   |            | 6.335e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 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:      800.000 ave         800 max         800 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 800
Ave neighs/atom = 200.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.137431065043487 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.8035970 1.8035970 1.8035970
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8035970 1.8035970 1.8035970)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8035970 1.8035970 1.8035970)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.803597            0     1.803597            0     1.803597  -0.24377326    2080760.2    2080760.2    2080760.2    2080760.2    2080760.2 -1.5159053e-10 1.2127243e-10 1.5159053e-10 
Loop time of 6.515e-06 on 1 procs for 0 steps with 4 atoms

61.4% 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   |            | 6.515e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 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:      800.000 ave         800 max         800 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 800
Ave neighs/atom = 200.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.06094331538677 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.7767990 1.7767990 1.7767990
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7767990 1.7767990 1.7767990)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7767990 1.7767990 1.7767990)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.776799            0     1.776799            0     1.776799    0.1152031    2391602.8    2391602.8    2391602.8    2391602.8    2391602.8            0 3.1710689e-10 4.1223896e-10 
Loop time of 6.556e-06 on 1 procs for 0 steps with 4 atoms

76.3% 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   |            | 6.556e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 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:      800.000 ave         800 max         800 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 800
Ave neighs/atom = 200.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.0288007752336615 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.7484930 1.7484930 1.7484930
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7484930 1.7484930 1.7484930)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7484930 1.7484930 1.7484930)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.748493            0     1.748493            0     1.748493   0.53886482    2763772.3    2763772.3    2763772.3    2763772.3    2763772.3 6.1560285e-10 1.5306882e-09 1.5972398e-09 
Loop time of 6.314e-06 on 1 procs for 0 steps with 4 atoms

79.2% 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   |            | 6.314e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 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:      800.000 ave         800 max         800 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 800
Ave neighs/atom = 200.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.134716204497696 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.7185010 1.7185010 1.7185010
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7185010 1.7185010 1.7185010)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7185010 1.7185010 1.7185010)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.718501            0     1.718501            0     1.718501    1.0421853      3213891      3213891      3213891      3213891      3213891 9.9888635e-10 -2.6286483e-10 1.7524322e-11 
Loop time of 6.926e-06 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 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:      896.000 ave         896 max         896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 896
Ave neighs/atom = 224.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.260546337297668 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.6866060 1.6866060 1.6866060
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6866060 1.6866060 1.6866060)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6866060 1.6866060 1.6866060)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.686606            0     1.686606            0     1.686606     3.440729     27259110     27259110     27259110     27259110     27259110 -8.1564719e-10 -5.524156e-09 -4.7270462e-09 
Loop time of 6.725e-06 on 1 procs for 0 steps with 4 atoms

74.3% 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   |            | 6.725e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 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:      896.000 ave         896 max         896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 896
Ave neighs/atom = 224.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.860182239905558 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.6525540 1.6525540 1.6525540
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6525540 1.6525540 1.6525540)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6525540 1.6525540 1.6525540)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.652554            0     1.652554            0     1.652554    10.270014     47320710     47320710     47320710     47320710     47320710 3.231971e-09 6.4639421e-09 2.2071997e-09 
Loop time of 6.946e-06 on 1 procs for 0 steps with 4 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.946e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 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:      992.000 ave         992 max         992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 992
Ave neighs/atom = 248.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 2.5675033857507 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.6160290 1.6160290 1.6160290
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6160290 1.6160290 1.6160290)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6160290 1.6160290 1.6160290)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.501 | 5.501 | 5.501 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.616029            0     1.616029            0     1.616029    19.641317     52551653     52551653     52551653     52551653     52551653 5.2263059e-09 1.0958383e-09 -6.9543586e-09 
Loop time of 6.615e-06 on 1 procs for 0 steps with 4 atoms

60.5% 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   |            | 6.615e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1094.00 ave        1094 max        1094 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:      992.000 ave         992 max         992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 992
Ave neighs/atom = 248.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 4.91032926424455 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.5766440 1.5766440 1.5766440
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5766440 1.5766440 1.5766440)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5766440 1.5766440 1.5766440)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.882 | 5.882 | 5.882 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.576644            0     1.576644            0     1.576644    28.605257     39452531     39452531     39452531     39452531     39452531 -9.0317672e-09 8.1694377e-09 -1.7700448e-09 
Loop time of 3.8159e-05 on 1 procs for 0 steps with 4 atoms

13.1% 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   |            | 3.816e-05  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1094.00 ave        1094 max        1094 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:      1280.00 ave        1280 max        1280 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1280
Ave neighs/atom = 320.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 7.151314240006 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.5339140 1.5339140 1.5339140
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5339140 1.5339140 1.5339140)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5339140 1.5339140 1.5339140)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.882 | 5.882 | 5.882 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.533914            0     1.533914            0     1.533914    33.880315     22645242     22645242     22645242     22645242     22645242 4.3925539e-09 -4.2262159e-09 -4.3186259e-09 
Loop time of 6.776e-06 on 1 procs for 0 steps with 4 atoms

73.8% 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   |            | 6.776e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1094.00 ave        1094 max        1094 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:      1280.00 ave        1280 max        1280 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1280
Ave neighs/atom = 320.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 8.47007887219628 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.4872160 1.4872160 1.4872160
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.4872160 1.4872160 1.4872160)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.4872160 1.4872160 1.4872160)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.882 | 5.882 | 5.882 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.487216            0     1.487216            0     1.487216    38.872291     27616082     27616082     27616082     27616082     27616082 -4.2111092e-09 2.7551334e-08 2.6949747e-08 
Loop time of 6.536e-06 on 1 procs for 0 steps with 4 atoms

61.2% 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   |            | 6.536e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1094.00 ave        1094 max        1094 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:      1472.00 ave        1472 max        1472 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1472
Ave neighs/atom = 368.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 9.7180727935299 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.4357390 1.4357390 1.4357390
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.4357390 1.4357390 1.4357390)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.4357390 1.4357390 1.4357390)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.882 | 5.882 | 5.882 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.435739            0     1.435739            0     1.435739    49.003515     71832718     71832718     71832718     71832718     71832718 4.7180632e-09 3.6144271e-08 2.7579634e-08 
Loop time of 6.375e-06 on 1 procs for 0 steps with 4 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.375e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1094.00 ave        1094 max        1094 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:      1520.00 ave        1520 max        1520 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1520
Ave neighs/atom = 380.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 12.2508787922105 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.3783910 1.3783910 1.3783910
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.3783910 1.3783910 1.3783910)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.3783910 1.3783910 1.3783910)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 5.882 | 5.882 | 5.882 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.378391            0     1.378391            0     1.378391    66.813184     85842975     85842975     85842975     85842975     85842975 1.7387745e-08 4.0412923e-09 -1.7608488e-08 
Loop time of 7.036e-06 on 1 procs for 0 steps with 4 atoms

71.1% 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   |            | 7.036e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1094.00 ave        1094 max        1094 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:      1712.00 ave        1712 max        1712 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1712
Ave neighs/atom = 428.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 16.7032959868259 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.3136570 1.3136570 1.3136570
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.3136570 1.3136570 1.3136570)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.3136570 1.3136570 1.3136570)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 7.081 | 7.081 | 7.081 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.313657            0     1.313657            0     1.313657    83.996356 1.1777228e+08 1.1777228e+08 1.1777228e+08 1.1777228e+08 1.1777228e+08 1.1730481e-08 -2.8325777e-08 -7.2815295e-08 
Loop time of 6.435e-06 on 1 procs for 0 steps with 4 atoms

202.0% 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   |            | 6.435e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1684.00 ave        1684 max        1684 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:      2120.00 ave        2120 max        2120 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2120
Ave neighs/atom = 530.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 20.9990889568499 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.2393510 1.2393510 1.2393510
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.2393510 1.2393510 1.2393510)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.2393510 1.2393510 1.2393510)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 7.463 | 7.463 | 7.463 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.239351            0     1.239351            0     1.239351    131.04591 2.4436173e+08 2.4436173e+08 2.4436173e+08 2.4436173e+08 2.4436173e+08 -3.8450984e-08 5.7933439e-08 8.7647687e-08 
Loop time of 6.424e-06 on 1 procs for 0 steps with 4 atoms

77.8% 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   |            | 6.424e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1684.00 ave        1684 max        1684 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:      2408.00 ave        2408 max        2408 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2408
Ave neighs/atom = 602.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 32.7614766364925 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.1521430 1.1521430 1.1521430
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.1521430 1.1521430 1.1521430)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.1521430 1.1521430 1.1521430)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 9.385 | 9.385 | 9.385 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.152143            0     1.152143            0     1.152143    183.98229 2.8422281e+08 2.8422281e+08 2.8422281e+08 2.8422281e+08 2.8422281e+08 1.6130163e-08 5.460558e-08 -2.2388869e-08 
Loop time of 6.795e-06 on 1 procs for 0 steps with 4 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.795e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2452.00 ave        2452 max        2452 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:      3064.00 ave        3064 max        3064 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 3064
Ave neighs/atom = 766.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 45.9955736560088 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.0465900 1.0465900 1.0465900
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.0465900 1.0465900 1.0465900)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.0465900 1.0465900 1.0465900)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      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) = 10.15 | 10.15 | 10.15 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0      1.04659            0      1.04659            0      1.04659    324.58155 9.014953e+08 9.014953e+08 9.014953e+08 9.014953e+08 9.014953e+08 -1.9550659e-08 7.0134108e-08 3.4849825e-07 
Loop time of 6.575e-06 on 1 procs for 0 steps with 4 atoms

136.9% 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   |            | 6.575e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2452.00 ave        2452 max        2452 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 = 958.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 81.1453884418915 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task
Total wall time: 0:00:07