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 = 4.1733200 4.1733200 4.1733200
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (4.1733200 4.1733200 4.1733200)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (4.1733200 4.1733200 4.1733200)
  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_263593395744_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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.082 | 5.082 | 5.082 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0      4.17332            0      4.17332            0      4.17332   0.69840678    147519.16    147519.16    147519.16    147519.16    147519.16 -2.4472342e-12 -4.8944683e-12 -4.8944683e-12 
Loop time of 1.4063e-05 on 1 procs for 0 steps with 2 atoms

149.3% 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   |            | 1.406e-05  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        89.0000 ave          89 max          89 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:      28.0000 ave          28 max          28 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 28
Ave neighs/atom = 14.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.326504077627306 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 3.8936910 3.8936910 3.8936910
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.8936910 3.8936910 3.8936910)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.8936910 3.8936910 3.8936910)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.082 | 5.082 | 5.082 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     3.893691            0     3.893691            0     3.893691   0.29049258   -456389.93   -456389.93   -456389.93   -456389.93   -456389.93            0            0            0 
Loop time of 6.555e-06 on 1 procs for 0 steps with 2 atoms

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

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

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        89.0000 ave          89 max          89 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:      52.0000 ave          52 max          52 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 52
Ave neighs/atom = 26.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.122546976749406 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 3.7203890 3.7203890 3.7203890
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.7203890 3.7203890 3.7203890)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.7203890 3.7203890 3.7203890)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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        2            0     3.720389            0     3.720389            0     3.720389   -3.0489142   -853340.57   -853340.57   -853340.57   -853340.57   -853340.57 1.3817056e-11 6.9085281e-12 4.1451169e-11 
Loop time of 6.304e-06 on 1 procs for 0 steps with 2 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   |            | 6.304e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        187.000 ave         187 max         187 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:      52.0000 ave          52 max          52 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 52
Ave neighs/atom = 26.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.54715640330338 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 3.5944750 3.5944750 3.5944750
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.5944750 3.5944750 3.5944750)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.5944750 3.5944750 3.5944750)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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        2            0     3.594475            0     3.594475            0     3.594475   -5.7376518   -814759.29   -814759.29   -814759.29   -814759.29   -814759.29 3.0641087e-11 -4.5961631e-11 -5.3621903e-11 
Loop time of 6.556e-06 on 1 procs for 0 steps with 2 atoms

198.3% 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:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        187.000 ave         187 max         187 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:      52.0000 ave          52 max          52 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 52
Ave neighs/atom = 26.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.89152521291864 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 3.4955230 3.4955230 3.4955230
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.4955230 3.4955230 3.4955230)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.4955230 3.4955230 3.4955230)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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        2            0     3.495523            0     3.495523            0     3.495523   -7.4555229   -641696.02   -641696.02   -641696.02   -641696.02   -641696.02            0 1.6658814e-11 1.6658814e-11 
Loop time of 6.375e-06 on 1 procs for 0 steps with 2 atoms

219.6% 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   |            | 6.375e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        187.000 ave         187 max         187 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:      100.000 ave         100 max         100 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 100
Ave neighs/atom = 50.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.75046074457257 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 3.4139970 3.4139970 3.4139970
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.4139970 3.4139970 3.4139970)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.4139970 3.4139970 3.4139970)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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        2            0     3.413997            0     3.413997            0     3.413997   -8.4537554   -451041.22   -451041.22   -451041.22   -451041.22   -451041.22 8.940487e-12            0            0 
Loop time of 6.424e-06 on 1 procs for 0 steps with 2 atoms

93.4% 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   |            | 6.424e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        187.000 ave         187 max         187 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:      100.000 ave         100 max         100 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 100
Ave neighs/atom = 50.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.24957698762844 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 3.3446690 3.3446690 3.3446690
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.3446690 3.3446690 3.3446690)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.3446690 3.3446690 3.3446690)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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        2            0     3.344669            0     3.344669            0     3.344669   -9.0123267   -309034.93   -309034.93   -309034.93   -309034.93   -309034.93 -4.7540216e-12 -2.3770108e-12 -4.7540216e-12 
Loop time of 6.305e-06 on 1 procs for 0 steps with 2 atoms

190.3% 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:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        187.000 ave         187 max         187 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:      116.000 ave         116 max         116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116
Ave neighs/atom = 58.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.52886265888652 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 3.2843590 3.2843590 3.2843590
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.2843590 3.2843590 3.2843590)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.2843590 3.2843590 3.2843590)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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        2            0     3.284359            0     3.284359            0     3.284359   -9.3450418   -236872.63   -236872.63   -236872.63   -236872.63   -236872.63 5.0207514e-12 5.0207514e-12 5.0207514e-12 
Loop time of 6.947e-06 on 1 procs for 0 steps with 2 atoms

72.0% 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   |            | 6.947e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        187.000 ave         187 max         187 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:      116.000 ave         116 max         116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116
Ave neighs/atom = 58.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.69522020534271 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 3.2309900 3.2309900 3.2309900
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.2309900 3.2309900 3.2309900)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.2309900 3.2309900 3.2309900)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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        2            0      3.23099            0      3.23099            0      3.23099   -9.5859405   -225575.48   -225575.48   -225575.48   -225575.48   -225575.48 5.2736797e-12 -9.2289394e-12 2.6368398e-12 
Loop time of 6.615e-06 on 1 procs for 0 steps with 2 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:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        187.000 ave         187 max         187 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:      116.000 ave         116 max         116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116
Ave neighs/atom = 58.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.81566955419207 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 3.1831270 3.1831270 3.1831270
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1831270 3.1831270 3.1831270)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1831270 3.1831270 3.1831270)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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        2            0     3.183127            0     3.183127            0     3.183127   -9.8038676   -251962.11   -251962.11   -251962.11   -251962.11   -251962.11 -1.1030335e-11 -6.8939591e-12 -5.5151673e-12 
Loop time of 6.405e-06 on 1 procs for 0 steps with 2 atoms

78.1% 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   |            | 6.405e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        187.000 ave         187 max         187 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:      116.000 ave         116 max         116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116
Ave neighs/atom = 58.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.92463312245812 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 3.1397400 3.1397400 3.1397400
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1397400 3.1397400 3.1397400)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1397400 3.1397400 3.1397400)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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        2            0      3.13974            0      3.13974            0      3.13974   -10.023911    -291100.2    -291100.2    -291100.2    -291100.2    -291100.2            0 2.873489e-12 5.7469779e-12 
Loop time of 1.0915e-05 on 1 procs for 0 steps with 2 atoms

45.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.092e-05  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        187.000 ave         187 max         187 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:      116.000 ave         116 max         116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116
Ave neighs/atom = 58.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.03465489210159 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 3.1000620 3.1000620 3.1000620
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1000620 3.1000620 3.1000620)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1000620 3.1000620 3.1000620)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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        2            0     3.100062            0     3.100062            0     3.100062   -10.246798   -323621.24   -323621.24   -323621.24   -323621.24   -323621.24 -5.9704828e-12 1.1940966e-11            0 
Loop time of 6.394e-06 on 1 procs for 0 steps with 2 atoms

78.2% 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   |            | 6.394e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        187.000 ave         187 max         187 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:      116.000 ave         116 max         116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116
Ave neighs/atom = 58.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.14609842468029 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 3.0635090 3.0635090 3.0635090
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0635090 3.0635090 3.0635090)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0635090 3.0635090 3.0635090)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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        2            0     3.063509            0     3.063509            0     3.063509   -10.463008   -338396.47   -338396.47   -338396.47   -338396.47   -338396.47            0 -1.8560273e-11 -6.1867577e-12 
Loop time of 6.735e-06 on 1 procs for 0 steps with 2 atoms

178.2% 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   |            | 6.735e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        187.000 ave         187 max         187 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:      116.000 ave         116 max         116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116
Ave neighs/atom = 58.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.25420308722554 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 3.0296250 3.0296250 3.0296250
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0296250 3.0296250 3.0296250)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0296250 3.0296250 3.0296250)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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        2            0     3.029625            0     3.029625            0     3.029625   -10.661468   -332060.57   -332060.57   -332060.57   -332060.57   -332060.57 3.1983351e-12 3.1983351e-12 3.1983351e-12 
Loop time of 6.596e-06 on 1 procs for 0 steps with 2 atoms

75.8% 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   |            | 6.596e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        187.000 ave         187 max         187 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:      116.000 ave         116 max         116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116
Ave neighs/atom = 58.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.35343307992819 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.9980460 2.9980460 2.9980460
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9980460 2.9980460 2.9980460)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9980460 2.9980460 2.9980460)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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        2            0     2.998046            0     2.998046            0     2.998046   -10.833903   -306933.56   -306933.56   -306933.56   -306933.56   -306933.56 3.3004694e-12 6.6009389e-12 6.6009389e-12 
Loop time of 7.247e-06 on 1 procs for 0 steps with 2 atoms

234.6% 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   |            | 7.247e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        187.000 ave         187 max         187 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:      116.000 ave         116 max         116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116
Ave neighs/atom = 58.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.43965056155009 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.9684790 2.9684790 2.9684790
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9684790 2.9684790 2.9684790)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9684790 2.9684790 2.9684790)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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        2            0     2.968479            0     2.968479            0     2.968479   -10.976219   -268531.71   -268531.71   -268531.71   -268531.71   -268531.71 6.8001524e-12 -1.7000381e-12 5.1001143e-12 
Loop time of 6.725e-06 on 1 procs for 0 steps with 2 atoms

89.2% 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   |            | 6.725e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        187.000 ave         187 max         187 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:      116.000 ave         116 max         116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116
Ave neighs/atom = 58.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.51080898498034 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.9406820 2.9406820 2.9406820
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9406820 2.9406820 2.9406820)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9406820 2.9406820 2.9406820)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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        2            0     2.940682            0     2.940682            0     2.940682   -11.088241   -223368.07   -223368.07   -223368.07   -223368.07   -223368.07            0 -3.4974088e-12            0 
Loop time of 7.127e-06 on 1 procs for 0 steps with 2 atoms

70.2% 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   |            | 7.127e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        187.000 ave         187 max         187 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:      116.000 ave         116 max         116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116
Ave neighs/atom = 58.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.56681956992984 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.9144550 2.9144550 2.9144550
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9144550 2.9144550 2.9144550)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9144550 2.9144550 2.9144550)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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        2            0     2.914455            0     2.914455            0     2.914455   -11.172635   -177360.85   -177360.85   -177360.85   -177360.85   -177360.85 7.1853599e-12 4.4908499e-12 -1.79634e-12 
Loop time of 6.565e-06 on 1 procs for 0 steps with 2 atoms

91.4% 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   |            | 6.565e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        187.000 ave         187 max         187 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:      116.000 ave         116 max         116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116
Ave neighs/atom = 58.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.60901666518614 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.8896310 2.8896310 2.8896310
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8896310 2.8896310 2.8896310)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8896310 2.8896310 2.8896310)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.889631            0     2.889631            0     2.889631   -11.233683   -134886.92   -134886.92   -134886.92   -134886.92   -134886.92            0 -9.2151718e-13 2.303793e-12 
Loop time of 6.846e-06 on 1 procs for 0 steps with 2 atoms

175.3% 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   |            | 6.846e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 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:      128.000 ave         128 max         128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128
Ave neighs/atom = 64.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.63954065605139 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.8660670 2.8660670 2.8660670
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8660670 2.8660670 2.8660670)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8660670 2.8660670 2.8660670)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.866067            0     2.866067            0     2.866067   -11.276179   -98383.882   -98383.882   -98383.882   -98383.882   -98383.882 -3.3055188e-12 -1.0388773e-11 4.7221697e-12 
Loop time of 6.645e-06 on 1 procs for 0 steps with 2 atoms

75.2% 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   |            | 6.645e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 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:      128.000 ave         128 max         128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128
Ave neighs/atom = 64.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.66078879582489 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.8436410 2.8436410 2.8436410
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8436410 2.8436410 2.8436410)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8436410 2.8436410 2.8436410)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.843641            0     2.843641            0     2.843641   -11.304592   -68366.719   -68366.719   -68366.719   -68366.719   -68366.719 8.3399875e-12 6.0132519e-12 -1.2691285e-11 
Loop time of 7.246e-06 on 1 procs for 0 steps with 2 atoms

193.2% 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   |            | 7.246e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 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:      128.000 ave         128 max         128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128
Ave neighs/atom = 64.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.67499521209704 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.8222480 2.8222480 2.8222480
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8222480 2.8222480 2.8222480)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8222480 2.8222480 2.8222480)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.822248            0     2.822248            0     2.822248   -11.322529   -43696.631   -43696.631   -43696.631   -43696.631   -43696.631 1.2363889e-12 -2.7200555e-12 -1.2363889e-12 
Loop time of 7.216e-06 on 1 procs for 0 steps with 2 atoms

83.1% 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   |            | 7.216e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 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:      128.000 ave         128 max         128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128
Ave neighs/atom = 64.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.68396392790919 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.8017980 2.8017980 2.8017980
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8017980 2.8017980 2.8017980)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8017980 2.8017980 2.8017980)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.801798            0     2.801798            0     2.801798   -11.332468   -21980.457   -21980.457   -21980.457   -21980.457   -21980.457 -1.0109278e-12 -1.0109278e-12 -1.0109278e-12 
Loop time of 6.786e-06 on 1 procs for 0 steps with 2 atoms

73.7% 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   |            | 6.786e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 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:      128.000 ave         128 max         128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128
Ave neighs/atom = 64.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.68893318053374 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.7822100 2.7822100 2.7822100
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7822100 2.7822100 2.7822100)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7822100 2.7822100 2.7822100)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0      2.78221            0      2.78221            0      2.78221   -11.335688  -0.93703564  -0.93703564  -0.93703564  -0.93703564  -0.93703564 6.1945837e-12 -4.1297225e-12 -4.1297225e-12 
Loop time of 6.566e-06 on 1 procs for 0 steps with 2 atoms

76.1% CPU use with 1 MPI tasks x 1 OpenMP threads

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

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 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:      128.000 ave         128 max         128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128
Ave neighs/atom = 64.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.69054330503719 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.7624080 2.7624080 2.7624080
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7624080 2.7624080 2.7624080)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7624080 2.7624080 2.7624080)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.762408            0     2.762408            0     2.762408   -11.331965    27472.611    27472.611    27472.611    27472.611    27472.611 1.4767098e-11 -1.0547927e-12 -6.3287564e-12 
Loop time of 6.996e-06 on 1 procs for 0 steps with 2 atoms

200.1% 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   |            | 6.996e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 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:      128.000 ave         128 max         128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128
Ave neighs/atom = 64.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.68868202147224 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.7420020 2.7420020 2.7420020
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7420020 2.7420020 2.7420020)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7420020 2.7420020 2.7420020)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.742002            0     2.742002            0     2.742002   -11.318679    66831.515    66831.515    66831.515    66831.515    66831.515 -2.1570355e-12 1.0785178e-12 -8.628142e-12 
Loop time of 6.305e-06 on 1 procs for 0 steps with 2 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:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 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:      128.000 ave         128 max         128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128
Ave neighs/atom = 64.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.68203897489429 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.7209540 2.7209540 2.7209540
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7209540 2.7209540 2.7209540)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7209540 2.7209540 2.7209540)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.720954            0     2.720954            0     2.720954   -11.290872    126310.79    126310.79    126310.79    126310.79    126310.79 -2.2074811e-12 2.2074811e-12 -4.4149622e-12 
Loop time of 6.555e-06 on 1 procs for 0 steps with 2 atoms

198.3% 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   |            | 6.555e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 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:      128.000 ave         128 max         128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128
Ave neighs/atom = 64.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.66813519908529 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.6992220 2.6992220 2.6992220
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6992220 2.6992220 2.6992220)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6992220 2.6992220 2.6992220)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.699222            0     2.699222            0     2.699222   -11.240517    216557.61    216557.61    216557.61    216557.61    216557.61 -9.0449209e-12 -9.0449209e-12 -2.2612302e-11 
Loop time of 6.735e-06 on 1 procs for 0 steps with 2 atoms

193.0% 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   |            | 6.735e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 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:      128.000 ave         128 max         128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128
Ave neighs/atom = 64.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.64295777110989 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.6767600 2.6767600 2.6767600
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6767600 2.6767600 2.6767600)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6767600 2.6767600 2.6767600)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0      2.67676            0      2.67676            0      2.67676   -11.156468    336660.81    336660.81    336660.81    336660.81    336660.81 -3.7098152e-11 -1.8549076e-11 -9.274538e-12 
Loop time of 6.686e-06 on 1 procs for 0 steps with 2 atoms

74.8% 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   |            | 6.686e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 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:      128.000 ave         128 max         128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128
Ave neighs/atom = 64.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.60093308414714 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.6535170 2.6535170 2.6535170
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6535170 2.6535170 2.6535170)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6535170 2.6535170 2.6535170)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.653517            0     2.653517            0     2.653517   -11.032155    470546.48    470546.48    470546.48    470546.48    470546.48            0 2.3800987e-11 -3.3321382e-11 
Loop time of 6.616e-06 on 1 procs for 0 steps with 2 atoms

75.6% 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   |            | 6.616e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 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:      176.000 ave         176 max         176 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 176
Ave neighs/atom = 88.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.53877666485139 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.6294390 2.6294390 2.6294390
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6294390 2.6294390 2.6294390)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6294390 2.6294390 2.6294390)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.629439            0     2.629439            0     2.629439   -10.861144    616855.22    616855.22    616855.22    616855.22    616855.22 8.3166842e-11 5.3813839e-11 -5.8706006e-11 
Loop time of 6.685e-06 on 1 procs for 0 steps with 2 atoms

89.8% 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   |            | 6.685e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 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:      176.000 ave         176 max         176 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 176
Ave neighs/atom = 88.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.45327150833519 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.6044610 2.6044610 2.6044610
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6044610 2.6044610 2.6044610)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6044610 2.6044610 2.6044610)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.604461            0     2.604461            0     2.604461   -10.640876    754349.92    754349.92    754349.92    754349.92    754349.92 -1.0068552e-11 -8.0548415e-11 -1.2082262e-10 
Loop time of 6.526e-06 on 1 procs for 0 steps with 2 atoms

183.9% 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   |            | 6.526e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 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:      176.000 ave         176 max         176 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 176
Ave neighs/atom = 88.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.34313716243364 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.5785140 2.5785140 2.5785140
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5785140 2.5785140 2.5785140)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5785140 2.5785140 2.5785140)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.578514            0     2.578514            0     2.578514    -10.37711     852619.9     852619.9     852619.9     852619.9     852619.9 -5.1877867e-11 -4.1502293e-11 -3.112672e-11 
Loop time of 6.384e-06 on 1 procs for 0 steps with 2 atoms

203.6% 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   |            | 6.384e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 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:      224.000 ave         224 max         224 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224
Ave neighs/atom = 112.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.21125432518274 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.5515190 2.5515190 2.5515190
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5515190 2.5515190 2.5515190)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5515190 2.5515190 2.5515190)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.551519            0     2.551519            0     2.551519   -10.087304    873813.87    873813.87    873813.87    873813.87    873813.87 -4.2833559e-11 1.7133424e-10 7.4958728e-11 
Loop time of 6.886e-06 on 1 procs for 0 steps with 2 atoms

72.6% 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   |            | 6.886e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 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:      224.000 ave         224 max         224 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224
Ave neighs/atom = 112.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.06635137383464 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.5233900 2.5233900 2.5233900
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5233900 2.5233900 2.5233900)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5233900 2.5233900 2.5233900)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0      2.52339            0      2.52339            0      2.52339   -9.8039385    773103.22    773103.22    773103.22    773103.22    773103.22            0 1.3284607e-10 6.6423033e-11 
Loop time of 6.185e-06 on 1 procs for 0 steps with 2 atoms

97.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.185e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 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:      224.000 ave         224 max         224 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224
Ave neighs/atom = 112.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.92466858349069 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.4940260 2.4940260 2.4940260
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4940260 2.4940260 2.4940260)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4940260 2.4940260 2.4940260)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.494026            0     2.494026            0     2.494026   -9.5788758    492494.84    492494.84    492494.84    492494.84    492494.84 4.5864604e-11 6.8796906e-11 2.2932302e-11 
Loop time of 6.064e-06 on 1 procs for 0 steps with 2 atoms

181.4% 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   |            | 6.064e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 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:      224.000 ave         224 max         224 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224
Ave neighs/atom = 112.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.81213722984806 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.4633130 2.4633130 2.4633130
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4633130 2.4633130 2.4633130)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4633130 2.4633130 2.4633130)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.463313            0     2.463313            0     2.463313   -9.4930547   -61664.473   -61664.473   -61664.473   -61664.473   -61664.473 7.1402438e-11 4.1651422e-11 1.7255589e-10 
Loop time of 6.355e-06 on 1 procs for 0 steps with 2 atoms

78.7% 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   |            | 6.355e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 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:      224.000 ave         224 max         224 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224
Ave neighs/atom = 112.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.76922667929742 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.4311230 2.4311230 2.4311230
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4311230 2.4311230 2.4311230)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4311230 2.4311230 2.4311230)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.431123            0     2.431123            0     2.431123   -9.6804309   -1072108.8   -1072108.8   -1072108.8   -1072108.8   -1072108.8 1.2804948e-10 -2.050339e-11 -1.1953863e-10 
Loop time of 6.866e-06 on 1 procs for 0 steps with 2 atoms

72.8% 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   |            | 6.866e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 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:      224.000 ave         224 max         224 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224
Ave neighs/atom = 112.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.86291476588493 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.3973040 2.3973040 2.3973040
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3973040 2.3973040 2.3973040)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3973040 2.3973040 2.3973040)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.397304            0     2.397304            0     2.397304   -10.382812   -2911592.7   -2911592.7   -2911592.7   -2911592.7   -2911592.7 -2.7112562e-10 5.1642974e-11 -3.8732231e-11 
Loop time of 6.214e-06 on 1 procs for 0 steps with 2 atoms

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

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

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 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:      224.000 ave         224 max         224 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224
Ave neighs/atom = 112.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.21410532999084 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.3616850 2.3616850 2.3616850
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3616850 2.3616850 2.3616850)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3616850 2.3616850 2.3616850)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.361685            0     2.361685            0     2.361685   -12.058514   -6288859.4   -6288859.4   -6288859.4   -6288859.4   -6288859.4 -4.8613532e-10 5.4015035e-11 -5.4015035e-11 
Loop time of 6.585e-06 on 1 procs for 0 steps with 2 atoms

75.9% 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   |            | 6.585e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 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:      272.000 ave         272 max         272 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 272
Ave neighs/atom = 136.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -6.05195652635594 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.3240620 2.3240620 2.3240620
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3240620 2.3240620 2.3240620)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3240620 2.3240620 2.3240620)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.324062            0     2.324062            0     2.324062    -15.55946    -12360696    -12360696    -12360696    -12360696    -12360696 -6.8017191e-10 -3.4008596e-10 -1.3603438e-09 
Loop time of 6.826e-06 on 1 procs for 0 steps with 2 atoms

87.9% 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   |            | 6.826e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 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:      272.000 ave         272 max         272 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 272
Ave neighs/atom = 136.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -7.80242911403759 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.2841960 2.2841960 2.2841960
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2841960 2.2841960 2.2841960)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2841960 2.2841960 2.2841960)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.284196            0     2.284196            0     2.284196   -22.372756    -23930320    -23930320    -23930320    -23930320    -23930320 -2.1734839e-09 8.9551268e-11  2.11938e-09 
Loop time of 6.896e-06 on 1 procs for 0 steps with 2 atoms

87.0% 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   |            | 6.896e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        557.000 ave         557 max         557 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:      272.000 ave         272 max         272 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 272
Ave neighs/atom = 136.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -11.2090772525412 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.2418030 2.2418030 2.2418030
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2418030 2.2418030 2.2418030)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2418030 2.2418030 2.2418030)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.241803            0     2.241803            0     2.241803   -37.588969    -53882461    -53882461    -53882461    -53882461    -53882461 -2.1155975e-09 -2.3997823e-09 -1.8945649e-09 
Loop time of 6.615e-06 on 1 procs for 0 steps with 2 atoms

75.6% 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   |            | 6.615e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        557.000 ave         557 max         557 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:      272.000 ave         272 max         272 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 272
Ave neighs/atom = 136.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -18.8171839576849 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.1965410 2.1965410 2.1965410
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1965410 2.1965410 2.1965410)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1965410 2.1965410 2.1965410)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.196541            0     2.196541            0     2.196541   -70.156271 -1.0632658e+08 -1.0632658e+08 -1.0632658e+08 -1.0632658e+08 -1.0632658e+08 2.0141133e-09 -3.7596781e-09 -1.0741937e-09 
Loop time of 6.655e-06 on 1 procs for 0 steps with 2 atoms

75.1% 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   |            | 6.655e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        557.000 ave         557 max         557 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:      336.000 ave         336 max         336 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 336
Ave neighs/atom = 168.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -35.100834578491 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.1479930 2.1479930 2.1479930
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1479930 2.1479930 2.1479930)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1479930 2.1479930 2.1479930)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.147993            0     2.147993            0     2.147993   -134.51764 -2.0112343e+08 -2.0112343e+08 -2.0112343e+08 -2.0112343e+08 -2.0112343e+08 -2.7281333e-09 -4.5947509e-09 -8.040814e-09 
Loop time of 6.946e-06 on 1 procs for 0 steps with 2 atoms

72.0% 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:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        557.000 ave         557 max         557 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:      336.000 ave         336 max         336 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 336
Ave neighs/atom = 168.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -67.2815175678847 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.0956440 2.0956440 2.0956440
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0956440 2.0956440 2.0956440)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0956440 2.0956440 2.0956440)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.095644            0     2.095644            0     2.095644   -251.52042 -3.3013439e+08 -3.3013439e+08 -3.3013439e+08 -3.3013439e+08 -3.3013439e+08 -2.4738766e-09 -2.2264889e-08 -2.4738766e-08 
Loop time of 6.686e-06 on 1 procs for 0 steps with 2 atoms

74.8% 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   |            | 6.686e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        557.000 ave         557 max         557 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:      336.000 ave         336 max         336 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 336
Ave neighs/atom = 168.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -125.782909010315 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.0388480 2.0388480 2.0388480
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0388480 2.0388480 2.0388480)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0388480 2.0388480 2.0388480)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.038848            0     2.038848            0     2.038848   -418.51456 -3.6035921e+08 -3.6035921e+08 -3.6035921e+08 -3.6035921e+08 -3.6035921e+08 8.0592989e-09 -2.686433e-09 1.3432165e-08 
Loop time of 7.668e-06 on 1 procs for 0 steps with 2 atoms

156.5% 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   |            | 7.668e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        557.000 ave         557 max         557 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:      360.000 ave         360 max         360 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 360
Ave neighs/atom = 180.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -209.279976829546 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.9767790 1.9767790 1.9767790
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9767790 1.9767790 1.9767790)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9767790 1.9767790 1.9767790)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     1.976779            0     1.976779            0     1.976779   -476.00665 3.4139498e+08 3.4139498e+08 3.4139498e+08 3.4139498e+08 3.4139498e+08  1.58429e-08 6.189784e-08 2.6527646e-08 
Loop time of 6.565e-06 on 1 procs for 0 steps with 2 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:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        557.000 ave         557 max         557 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:      360.000 ave         360 max         360 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 360
Ave neighs/atom = 180.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -238.026023577689 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.9083570 1.9083570 1.9083570
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9083570 1.9083570 1.9083570)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9083570 1.9083570 1.9083570)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.152 | 5.152 | 5.152 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     1.908357            0     1.908357            0     1.908357    355.41672 3.8500546e+09 3.8500546e+09 3.8500546e+09 3.8500546e+09 3.8500546e+09 -2.2932412e-07 -1.8345929e-07 -2.4898047e-07 
Loop time of 6.706e-06 on 1 procs for 0 steps with 2 atoms

89.5% 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   |            | 6.706e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        853.000 ave         853 max         853 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:      516.000 ave         516 max         516 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 516
Ave neighs/atom = 258.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 177.685658540691 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.8321310 1.8321310 1.8321310
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8321310 1.8321310 1.8321310)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8321310 1.8321310 1.8321310)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.152 | 5.152 | 5.152 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     1.832131            0     1.832131            0     1.832131    4523.1594 1.4456481e+10 1.4456481e+10 1.4456481e+10 1.4456481e+10 1.4456481e+10 -4.1464746e-07 2.3694141e-07 -6.2197119e-07 
Loop time of 6.635e-06 on 1 procs for 0 steps with 2 atoms

180.9% 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   |            | 6.635e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        853.000 ave         853 max         853 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:      564.000 ave         564 max         564 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 564
Ave neighs/atom = 282.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 2261.55700898491 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.7460880 1.7460880 1.7460880
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7460880 1.7460880 1.7460880)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7460880 1.7460880 1.7460880)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.152 | 5.152 | 5.152 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     1.746088            0     1.746088            0     1.746088     17332.08 3.7298442e+10 3.7298442e+10 3.7298442e+10 3.7298442e+10 3.7298442e+10 -1.3001868e-06 -9.5803239e-07 -2.0529265e-06 
Loop time of 6.746e-06 on 1 procs for 0 steps with 2 atoms

192.7% 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   |            | 6.746e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        853.000 ave         853 max         853 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:      660.000 ave         660 max         660 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 660
Ave neighs/atom = 330.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 8666.01746555746 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.6473230 1.6473230 1.6473230
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6473230 1.6473230 1.6473230)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6473230 1.6473230 1.6473230)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.155 | 5.155 | 5.155 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     1.647323            0     1.647323            0     1.647323    47346.949 8.6475172e+10 8.6475172e+10 8.6475172e+10 8.6475172e+10 8.6475172e+10 6.3156195e-07 3.1527165e-06 4.4005607e-06 
Loop time of 6.354e-06 on 1 procs for 0 steps with 2 atoms

188.9% 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   |            | 6.354e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1239.00 ave        1239 max        1239 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      676.000 ave         676 max         676 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 676
Ave neighs/atom = 338.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 23673.4519657144 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.5314080 1.5314080 1.5314080
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5314080 1.5314080 1.5314080)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5314080 1.5314080 1.5314080)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.155 | 5.155 | 5.155 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     1.531408            0     1.531408            0     1.531408    167569.38 4.9841065e+11 4.9841065e+11 4.9841065e+11 4.9841065e+11 4.9841065e+11 1.0041833e-05 -5.6802288e-06 1.5417764e-05 
Loop time of 6.706e-06 on 1 procs for 0 steps with 2 atoms

193.9% 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   |            | 6.706e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1239.00 ave        1239 max        1239 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      916.000 ave         916 max         916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 916
Ave neighs/atom = 458.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 83784.6676424932 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.3911100 1.3911100 1.3911100
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.3911100 1.3911100 1.3911100)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.3911100 1.3911100 1.3911100)
  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 = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/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) = 5.209 | 5.209 | 5.209 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0      1.39111            0      1.39111            0      1.39111    1229672.6 4.8600031e+12 4.8600031e+12 4.8600031e+12 4.8600031e+12 4.8600031e+12 3.7619318e-05 -3.2477109e-06 2.1651406e-06 
Loop time of 6.815e-06 on 1 procs for 0 steps with 2 atoms

73.4% 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   |            | 6.815e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1727.00 ave        1727 max        1727 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1216.00 ave        1216 max        1216 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1216
Ave neighs/atom = 608.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 614836.293998974 eV/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: 0:00:08