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 = 4.1085800 4.1085800 4.1085800
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (4.1085800 4.1085800 4.1085800)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (4.1085800 4.1085800 4.1085800)
  create_atoms CPU = 0.000 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_751442731010_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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.083 | 5.083 | 5.083 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0      4.10858            0      4.10858            0      4.10858            0            0            0            0            0            0            0            0            0 
Loop time of 1.914e-06 on 1 procs for 0 steps with 4 atoms

104.5% 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   |            | 1.914e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        168.000 ave         168 max         168 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      216.000 ave         216 max         216 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 216
Ave neighs/atom = 54.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 3.8332890 3.8332890 3.8332890
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.8332890 3.8332890 3.8332890)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.8332890 3.8332890 3.8332890)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     3.833289            0     3.833289            0     3.833289            0            0            0            0            0            0            0            0            0 
Loop time of 7.01e-07 on 1 procs for 0 steps with 4 atoms

142.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.01e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      216.000 ave         216 max         216 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 216
Ave neighs/atom = 54.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 3.6626750 3.6626750 3.6626750
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6626750 3.6626750 3.6626750)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6626750 3.6626750 3.6626750)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     3.662675            0     3.662675            0     3.662675            0            0            0            0            0            0            0            0            0 
Loop time of 6.21e-07 on 1 procs for 0 steps with 4 atoms

161.0% 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   |            | 6.21e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      312.000 ave         312 max         312 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 312
Ave neighs/atom = 78.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 3.5387150 3.5387150 3.5387150
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.5387150 3.5387150 3.5387150)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.5387150 3.5387150 3.5387150)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     3.538715            0     3.538715            0     3.538715            0            0            0            0            0            0            0            0            0 
Loop time of 6.01e-07 on 1 procs for 0 steps with 4 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.01e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      312.000 ave         312 max         312 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 312
Ave neighs/atom = 78.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 3.4412970 3.4412970 3.4412970
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.4412970 3.4412970 3.4412970)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.4412970 3.4412970 3.4412970)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     3.441297            0     3.441297            0     3.441297            0            0            0            0            0            0            0            0            0 
Loop time of 7.11e-07 on 1 procs for 0 steps with 4 atoms

281.3% 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   |            | 7.11e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      312.000 ave         312 max         312 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 312
Ave neighs/atom = 78.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 3.3610360 3.3610360 3.3610360
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.3610360 3.3610360 3.3610360)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.3610360 3.3610360 3.3610360)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     3.361036            0     3.361036            0     3.361036            0            0            0            0            0            0            0            0            0 
Loop time of 6.21e-07 on 1 procs for 0 steps with 4 atoms

322.1% 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   |            | 6.21e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      344.000 ave         344 max         344 min
Histogram: 1 0 0 0 0 0 0 0 0 0

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

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

Lattice spacing in x,y,z = 3.2927830 3.2927830 3.2927830
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.2927830 3.2927830 3.2927830)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.2927830 3.2927830 3.2927830)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     3.292783            0     3.292783            0     3.292783            0            0            0            0            0            0            0            0            0 
Loop time of 6.52e-07 on 1 procs for 0 steps with 4 atoms

153.4% 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   |            | 6.52e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      344.000 ave         344 max         344 min
Histogram: 1 0 0 0 0 0 0 0 0 0

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

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

Lattice spacing in x,y,z = 3.2334100 3.2334100 3.2334100
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.2334100 3.2334100 3.2334100)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.2334100 3.2334100 3.2334100)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0      3.23341            0      3.23341            0      3.23341            0            0            0            0            0            0            0            0            0 
Loop time of 5.92e-07 on 1 procs for 0 steps with 4 atoms

168.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.92e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      344.000 ave         344 max         344 min
Histogram: 1 0 0 0 0 0 0 0 0 0

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

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

Lattice spacing in x,y,z = 3.1808680 3.1808680 3.1808680
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1808680 3.1808680 3.1808680)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1808680 3.1808680 3.1808680)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     3.180868            0     3.180868            0     3.180868            0            0            0            0            0            0            0            0            0 
Loop time of 6.12e-07 on 1 procs for 0 steps with 4 atoms

163.4% 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   |            | 6.12e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      344.000 ave         344 max         344 min
Histogram: 1 0 0 0 0 0 0 0 0 0

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

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

Lattice spacing in x,y,z = 3.1337480 3.1337480 3.1337480
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1337480 3.1337480 3.1337480)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1337480 3.1337480 3.1337480)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     3.133748            0     3.133748            0     3.133748            0            0            0            0            0            0            0            0            0 
Loop time of 6.31e-07 on 1 procs for 0 steps with 4 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.31e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      536.000 ave         536 max         536 min
Histogram: 1 0 0 0 0 0 0 0 0 0

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

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

Lattice spacing in x,y,z = 3.0910330 3.0910330 3.0910330
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0910330 3.0910330 3.0910330)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0910330 3.0910330 3.0910330)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     3.091033            0     3.091033            0     3.091033            0            0            0            0            0            0            0            0            0 
Loop time of 6.21e-07 on 1 procs for 0 steps with 4 atoms

161.0% 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   |            | 6.21e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      536.000 ave         536 max         536 min
Histogram: 1 0 0 0 0 0 0 0 0 0

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

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

Lattice spacing in x,y,z = 3.0519710 3.0519710 3.0519710
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0519710 3.0519710 3.0519710)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0519710 3.0519710 3.0519710)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     3.051971            0     3.051971            0     3.051971            0            0            0            0            0            0            0            0            0 
Loop time of 6.11e-07 on 1 procs for 0 steps with 4 atoms

163.7% 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   |            | 6.11e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      536.000 ave         536 max         536 min
Histogram: 1 0 0 0 0 0 0 0 0 0

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

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

Lattice spacing in x,y,z = 3.0159860 3.0159860 3.0159860
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0159860 3.0159860 3.0159860)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0159860 3.0159860 3.0159860)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     3.015986            0     3.015986            0     3.015986  -0.48327712   -2208361.9   -2208361.9   -2208361.9   -2208361.9   -2208361.9 -2.593538e-11 -1.0374152e-10 -1.0374152e-10 
Loop time of 6.31e-07 on 1 procs for 0 steps with 4 atoms

158.5% 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   |            | 6.31e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      536.000 ave         536 max         536 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 536
Ave neighs/atom = 134.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.12081927988268 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.9826270 2.9826270 2.9826270
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9826270 2.9826270 2.9826270)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9826270 2.9826270 2.9826270)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.982627            0     2.982627            0     2.982627   -2.2360579   -3723412.4   -3723412.4   -3723412.4   -3723412.4   -3723412.4 2.6815367e-10 -1.8770757e-10 -2.0111525e-10 
Loop time of 6.01e-07 on 1 procs for 0 steps with 4 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.01e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      536.000 ave         536 max         536 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 536
Ave neighs/atom = 134.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.55901448399978 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.9515380 2.9515380 2.9515380
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9515380 2.9515380 2.9515380)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9515380 2.9515380 2.9515380)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.951538            0     2.951538            0     2.951538   -4.2244876   -3918132.7   -3918132.7   -3918132.7   -3918132.7   -3918132.7 4.0123928e-10 9.5467277e-10 7.1946354e-10 
Loop time of 5.11e-07 on 1 procs for 0 steps with 4 atoms

195.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.11e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      536.000 ave         536 max         536 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 536
Ave neighs/atom = 134.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.05612189575739 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.9224290 2.9224290 2.9224290
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9224290 2.9224290 2.9224290)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9224290 2.9224290 2.9224290)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.922429            0     2.922429            0     2.922429   -6.0195861   -3676435.8   -3676435.8   -3676435.8   -3676435.8   -3676435.8 -5.7013627e-11 -2.2805451e-10 -4.8461583e-10 
Loop time of 5.11e-07 on 1 procs for 0 steps with 4 atoms

195.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.11e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      560.000 ave         560 max         560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 560
Ave neighs/atom = 140.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.50489651446563 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.8950630 2.8950630 2.8950630
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8950630 2.8950630 2.8950630)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8950630 2.8950630 2.8950630)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.895063            0     2.895063            0     2.895063   -7.5331479   -3285366.3   -3285366.3   -3285366.3   -3285366.3   -3285366.3 -1.1729149e-10 -4.6916597e-10 -5.1315028e-10 
Loop time of 7.61e-07 on 1 procs for 0 steps with 4 atoms

131.4% 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   |            | 7.61e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      560.000 ave         560 max         560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 560
Ave neighs/atom = 140.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.8832869776917 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.8692440 2.8692440 2.8692440
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8692440 2.8692440 2.8692440)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8692440 2.8692440 2.8692440)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.869244            0     2.869244            0     2.869244   -8.7634856   -2828787.1   -2828787.1   -2828787.1   -2828787.1   -2828787.1 1.8072964e-10 -7.5304016e-11 -1.2048643e-10 
Loop time of 6.31e-07 on 1 procs for 0 steps with 4 atoms

158.5% 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   |            | 6.31e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      560.000 ave         560 max         560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 560
Ave neighs/atom = 140.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.19087141195045 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.8448050 2.8448050 2.8448050
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8448050 2.8448050 2.8448050)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8448050 2.8448050 2.8448050)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.844805            0     2.844805            0     2.844805   -9.7306115   -2340375.9   -2340375.9   -2340375.9   -2340375.9   -2340375.9 3.8630745e-10 -4.3266434e-10 -8.035195e-10 
Loop time of 5.11e-07 on 1 procs for 0 steps with 4 atoms

195.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.11e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      560.000 ave         560 max         560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 560
Ave neighs/atom = 140.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.43265287997887 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.8216060 2.8216060 2.8216060
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8216060 2.8216060 2.8216060)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8216060 2.8216060 2.8216060)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.821606            0     2.821606            0     2.821606    -10.46059   -1840499.5   -1840499.5   -1840499.5   -1840499.5   -1840499.5 -7.9182913e-11 1.1877437e-10 1.5836583e-10 
Loop time of 8.22e-07 on 1 procs for 0 steps with 4 atoms

121.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 8.22e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      560.000 ave         560 max         560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 560
Ave neighs/atom = 140.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.61514740069785 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.7995280 2.7995280 2.7995280
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7995280 2.7995280 2.7995280)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7995280 2.7995280 2.7995280)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.799528            0     2.799528            0     2.799528   -10.981242   -1344770.4   -1344770.4   -1344770.4   -1344770.4   -1344770.4 2.3510623e-10            0 4.0535557e-11 
Loop time of 5.11e-07 on 1 procs for 0 steps with 4 atoms

195.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.11e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      560.000 ave         560 max         560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 560
Ave neighs/atom = 140.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.74531055817733 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.7784670 2.7784670 2.7784670
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7784670 2.7784670 2.7784670)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7784670 2.7784670 2.7784670)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.778467            0     2.778467            0     2.778467   -11.320496   -866034.17   -866034.17   -866034.17   -866034.17   -866034.17 -2.5293254e-10 1.1610018e-10 -1.7000384e-10 
Loop time of 5.31e-07 on 1 procs for 0 steps with 4 atoms

376.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.31e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      560.000 ave         560 max         560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 560
Ave neighs/atom = 140.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.83012393251605 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.7583340 2.7583340 2.7583340
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7583340 2.7583340 2.7583340)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7583340 2.7583340 2.7583340)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.758334            0     2.758334            0     2.758334   -11.505405   -414937.34   -414937.34   -414937.34   -414937.34   -414937.34 -2.7758202e-10 4.6616828e-11 -1.58921e-10 
Loop time of 1.143e-06 on 1 procs for 0 steps with 4 atoms

87.5% 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   |            | 1.143e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      704.000 ave         704 max         704 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704
Ave neighs/atom = 176.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.8763511953016 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.7390500 2.7390500 2.7390500
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7390500 2.7390500 2.7390500)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7390500 2.7390500 2.7390500)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0      2.73905            0      2.73905            0      2.73905   -11.561633   -32.940239   -32.940239   -32.940239   -32.940239   -32.940239 -2.2938345e-10 2.0220168e-10 9.8727739e-11 
Loop time of 4.91e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      704.000 ave         704 max         704 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704
Ave neighs/atom = 176.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.8904083282187 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.7195550 2.7195550 2.7195550
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7195550 2.7195550 2.7195550)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7195550 2.7195550 2.7195550)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.719555            0     2.719555            0     2.719555   -11.507821     391077.1     391077.1     391077.1     391077.1     391077.1 4.2006902e-11 8.8435584e-12 -6.1904909e-11 
Loop time of 5.01e-07 on 1 procs for 0 steps with 4 atoms

199.6% CPU use with 1 MPI tasks x 1 OpenMP threads

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      704.000 ave         704 max         704 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704
Ave neighs/atom = 176.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.87695514644885 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.6994660 2.6994660 2.6994660
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6994660 2.6994660 2.6994660)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6994660 2.6994660 2.6994660)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.699466            0     2.699466            0     2.699466   -11.348944    752392.49    752392.49    752392.49    752392.49    752392.49 1.1755209e-10 -4.0238985e-10 -7.7765229e-10 
Loop time of 5.01e-07 on 1 procs for 0 steps with 4 atoms

199.6% CPU use with 1 MPI tasks x 1 OpenMP threads

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      704.000 ave         704 max         704 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704
Ave neighs/atom = 176.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.83723608057915 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.6787440 2.6787440 2.6787440
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6787440 2.6787440 2.6787440)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6787440 2.6787440 2.6787440)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.678744            0     2.678744            0     2.678744   -11.092154    1068166.5    1068166.5    1068166.5    1068166.5    1068166.5 -2.0821378e-10 2.7761838e-10 4.6732426e-10 
Loop time of 5.01e-07 on 1 procs for 0 steps with 4 atoms

199.6% CPU use with 1 MPI tasks x 1 OpenMP threads

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      704.000 ave         704 max         704 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704
Ave neighs/atom = 176.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.77303839145058 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.6573490 2.6573490 2.6573490
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6573490 2.6573490 2.6573490)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6573490 2.6573490 2.6573490)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.657349            0     2.657349            0     2.657349   -10.749695    1320826.4    1320826.4    1320826.4    1320826.4    1320826.4 -7.5834144e-11 2.1328353e-10 2.1328353e-10 
Loop time of 5.41e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      704.000 ave         704 max         704 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704
Ave neighs/atom = 176.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.68742367082075 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.6352360 2.6352360 2.6352360
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6352360 2.6352360 2.6352360)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6352360 2.6352360 2.6352360)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.635236            0     2.635236            0     2.635236   -10.339662    1491697.8    1491697.8    1491697.8    1491697.8    1491697.8 -1.9439811e-11            0 6.8039339e-11 
Loop time of 5.51e-07 on 1 procs for 0 steps with 4 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.51e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      704.000 ave         704 max         704 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704
Ave neighs/atom = 176.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.58491541236005 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.6123540 2.6123540 2.6123540
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6123540 2.6123540 2.6123540)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6123540 2.6123540 2.6123540)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.612354            0     2.612354            0     2.612354   -9.8855673    1602079.1    1602079.1    1602079.1    1602079.1    1602079.1 2.4943909e-10 -1.3968589e-10 -6.9842945e-11 
Loop time of 5.11e-07 on 1 procs for 0 steps with 4 atoms

195.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.11e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      800.000 ave         800 max         800 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 800
Ave neighs/atom = 200.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.47139183067504 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.5886490 2.5886490 2.5886490
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5886490 2.5886490 2.5886490)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5886490 2.5886490 2.5886490)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.588649            0     2.588649            0     2.588649   -9.3631185      1885099      1885099      1885099      1885099      1885099 1.0254183e-11 -6.1525101e-11 -5.1270917e-11 
Loop time of 5.11e-07 on 1 procs for 0 steps with 4 atoms

195.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.11e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      800.000 ave         800 max         800 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 800
Ave neighs/atom = 200.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.34077962056223 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.5640580 2.5640580 2.5640580
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5640580 2.5640580 2.5640580)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5640580 2.5640580 2.5640580)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.564058            0     2.564058            0     2.564058   -8.7378094    2214170.3    2214170.3    2214170.3    2214170.3    2214170.3 1.0552055e-11 3.1656165e-11 1.0552055e-11 
Loop time of 5.11e-07 on 1 procs for 0 steps with 4 atoms

195.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.11e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      800.000 ave         800 max         800 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 800
Ave neighs/atom = 200.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.18445233853314 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.5385130 2.5385130 2.5385130
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5385130 2.5385130 2.5385130)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5385130 2.5385130 2.5385130)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.538513            0     2.538513            0     2.538513   -7.9899923    2598552.5    2598552.5    2598552.5    2598552.5    2598552.5            0 3.262148e-11 1.631074e-10 
Loop time of 5.31e-07 on 1 procs for 0 steps with 4 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.31e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      800.000 ave         800 max         800 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 800
Ave neighs/atom = 200.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.99749807017326 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.5119380 2.5119380 2.5119380
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5119380 2.5119380 2.5119380)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5119380 2.5119380 2.5119380)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.511938            0     2.511938            0     2.511938   -7.0955566    3049807.8    3049807.8    3049807.8    3049807.8    3049807.8 3.3667828e-10 -1.7956175e-10 -1.3467131e-10 
Loop time of 5.01e-07 on 1 procs for 0 steps with 4 atoms

199.6% CPU use with 1 MPI tasks x 1 OpenMP threads

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      800.000 ave         800 max         800 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 800
Ave neighs/atom = 200.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.77388915039204 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.4842450 2.4842450 2.4842450
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4842450 2.4842450 2.4842450)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4842450 2.4842450 2.4842450)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.484245            0     2.484245            0     2.484245   -6.0245964    3582553.4    3582553.4    3582553.4    3582553.4    3582553.4 8.3535256e-10 8.585568e-10 8.8176104e-10 
Loop time of 5.21e-07 on 1 procs for 0 steps with 4 atoms

191.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.21e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      896.000 ave         896 max         896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 896
Ave neighs/atom = 224.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.50614909884794 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.4553360 2.4553360 2.4553360
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4553360 2.4553360 2.4553360)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4553360 2.4553360 2.4553360)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.455336            0     2.455336            0     2.455336   -4.7398782    4215364.2    4215364.2    4215364.2    4215364.2    4215364.2 -3.8453668e-10 -3.3646959e-10 -5.5277148e-10 
Loop time of 4.91e-07 on 1 procs for 0 steps with 4 atoms

203.7% CPU use with 1 MPI tasks x 1 OpenMP threads

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      896.000 ave         896 max         896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 896
Ave neighs/atom = 224.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.18496955593811 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.4251000 2.4251000 2.4251000
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4251000 2.4251000 2.4251000)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4251000 2.4251000 2.4251000)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0       2.4251            0       2.4251            0       2.4251   -3.1946161    4972108.9    4972108.9    4972108.9    4972108.9    4972108.9 1.9954995e-10 7.483123e-11 -1.746062e-10 
Loop time of 5.21e-07 on 1 procs for 0 steps with 4 atoms

191.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.21e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      896.000 ave         896 max         896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 896
Ave neighs/atom = 224.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.798654036950493 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.3934090 2.3934090 2.3934090
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3934090 2.3934090 2.3934090)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3934090 2.3934090 2.3934090)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.393409            0     2.393409            0     2.393409   -1.3293874    5883848.1    5883848.1    5883848.1    5883848.1    5883848.1 -1.0379103e-10 5.1895514e-11 1.5568654e-10 
Loop time of 5.11e-07 on 1 procs for 0 steps with 4 atoms

195.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.11e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      992.000 ave         992 max         992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 992
Ave neighs/atom = 248.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.332346843371283 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.3601150 2.3601150 2.3601150
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3601150 2.3601150 2.3601150)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3601150 2.3601150 2.3601150)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.360115            0     2.360115            0     2.360115   0.93205273      6991502      6991502      6991502      6991502      6991502 -1.8943016e-10 1.4071955e-09 1.3530726e-09 
Loop time of 5.01e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      992.000 ave         992 max         992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 992
Ave neighs/atom = 248.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.23301318350236 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.3250480 2.3250480 2.3250480
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3250480 2.3250480 2.3250480)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3250480 2.3250480 2.3250480)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.501 | 5.501 | 5.501 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.325048            0     2.325048            0     2.325048    3.6884751    8349638.3    8349638.3    8349638.3    8349638.3    8349638.3 6.2269803e-10 7.3591586e-10 1.0755693e-09 
Loop time of 5.31e-07 on 1 procs for 0 steps with 4 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.31e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1094.00 ave        1094 max        1094 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      992.000 ave         992 max         992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 992
Ave neighs/atom = 248.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.922118783137967 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.2880090 2.2880090 2.2880090
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2880090 2.2880090 2.2880090)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2880090 2.2880090 2.2880090)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.882 | 5.882 | 5.882 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.288009            0     2.288009            0     2.288009    7.0695897     10032214     10032214     10032214     10032214     10032214 2.3761146e-10 9.5044584e-10 1.1286544e-09 
Loop time of 5.01e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1094.00 ave        1094 max        1094 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1280.00 ave        1280 max        1280 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1280
Ave neighs/atom = 320.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 1.76739741318436 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.2487620 2.2487620 2.2487620
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2487620 2.2487620 2.2487620)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2487620 2.2487620 2.2487620)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.882 | 5.882 | 5.882 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.248762            0     2.248762            0     2.248762    11.248266     12141246     12141246     12141246     12141246     12141246 -2.5027075e-10 -1.8770306e-10 -1.8770306e-10 
Loop time of 5.41e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1094.00 ave        1094 max        1094 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1280.00 ave        1280 max        1280 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1280
Ave neighs/atom = 320.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 2.8120665736282 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.2070260 2.2070260 2.2070260
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2070260 2.2070260 2.2070260)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2070260 2.2070260 2.2070260)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.882 | 5.882 | 5.882 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.207026            0     2.207026            0     2.207026    16.458414     14820109     14820109     14820109     14820109     14820109 1.3236959e-10 2.6473918e-10 3.9710877e-10 
Loop time of 5.41e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1094.00 ave        1094 max        1094 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1280.00 ave        1280 max        1280 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1280
Ave neighs/atom = 320.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 4.1146034882639 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.1624660 2.1624660 2.1624660
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1624660 2.1624660 2.1624660)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1624660 2.1624660 2.1624660)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.882 | 5.882 | 5.882 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.162466            0     2.162466            0     2.162466    23.021669     18274426     18274426     18274426     18274426     18274426 -1.7590279e-09 4.9252781e-10 4.9252781e-10 
Loop time of 5.41e-07 on 1 procs for 0 steps with 4 atoms

369.7% CPU use with 1 MPI tasks x 1 OpenMP threads

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1094.00 ave        1094 max        1094 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1280.00 ave        1280 max        1280 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1280
Ave neighs/atom = 320.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 5.7554172273396 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.1146710 2.1146710 2.1146710
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1146710 2.1146710 2.1146710)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1146710 2.1146710 2.1146710)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.882 | 5.882 | 5.882 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.114671            0     2.114671            0     2.114671      31.9145     26350502     26350502     26350502     26350502     26350502 1.0533682e-09 2.5581798e-09 1.6552928e-09 
Loop time of 5.41e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1094.00 ave        1094 max        1094 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1472.00 ave        1472 max        1472 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1472
Ave neighs/atom = 368.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 7.97862504461842 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.0631340 2.0631340 2.0631340
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0631340 2.0631340 2.0631340)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0631340 2.0631340 2.0631340)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.882 | 5.882 | 5.882 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.063134            0     2.063134            0     2.063134    45.220688     36850760     36850760     36850760     36850760     36850760  6.48169e-10 -2.7547183e-09 -3.0788028e-09 
Loop time of 5.2e-07 on 1 procs for 0 steps with 4 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.2e-07    |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1094.00 ave        1094 max        1094 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1520.00 ave        1520 max        1520 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1520
Ave neighs/atom = 380.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 11.3051721232113 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.0072200 2.0072200 2.0072200
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0072200 2.0072200 2.0072200)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0072200 2.0072200 2.0072200)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.882 | 5.882 | 5.882 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0      2.00722            0      2.00722            0      2.00722    63.521588     47582048     47582048     47582048     47582048     47582048 1.7596474e-10 -3.6952595e-09 -4.3991185e-09 
Loop time of 5.11e-07 on 1 procs for 0 steps with 4 atoms

195.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.11e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1094.00 ave        1094 max        1094 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1712.00 ave        1712 max        1712 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1712
Ave neighs/atom = 428.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 15.8803969409748 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.9461140 1.9461140 1.9461140
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9461140 1.9461140 1.9461140)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9461140 1.9461140 1.9461140)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 6.700 | 6.700 | 6.700 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.946114            0     1.946114            0     1.946114     87.44747     59803226     59803226     59803226     59803226     59803226 -1.9306598e-10 -1.3514618e-09 -9.6532988e-10 
Loop time of 5.31e-07 on 1 procs for 0 steps with 4 atoms

188.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.31e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1684.00 ave        1684 max        1684 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1832.00 ave        1832 max        1832 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1832
Ave neighs/atom = 458.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 21.8618675142012 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.8787530 1.8787530 1.8787530
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8787530 1.8787530 1.8787530)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8787530 1.8787530 1.8787530)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.081 | 7.081 | 7.081 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.878753            0     1.878753            0     1.878753    118.48341     75295684     75295684     75295684     75295684     75295684 4.2917213e-10 7.2959262e-09 5.5792377e-09 
Loop time of 5.21e-07 on 1 procs for 0 steps with 4 atoms

191.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.21e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1684.00 ave        1684 max        1684 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      2120.00 ave        2120 max        2120 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2120
Ave neighs/atom = 530.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 29.6208536260902 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.8037090 1.8037090 1.8037090
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8037090 1.8037090 1.8037090)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8037090 1.8037090 1.8037090)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.463 | 7.463 | 7.463 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.803709            0     1.803709            0     1.803709    159.74571 1.0150888e+08 1.0150888e+08 1.0150888e+08 1.0150888e+08 1.0150888e+08 -8.7299882e-09 6.3049915e-09 2.4249967e-09 
Loop time of 7.02e-07 on 1 procs for 0 steps with 4 atoms

142.5% 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   |            | 7.02e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1684.00 ave        1684 max        1684 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      2408.00 ave        2408 max        2408 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2408
Ave neighs/atom = 602.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 39.9364276036105 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.7190020 1.7190020 1.7190020
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7190020 1.7190020 1.7190020)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7190020 1.7190020 1.7190020)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.463 | 7.463 | 7.463 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.719002            0     1.719002            0     1.719002    223.61479 1.7974729e+08 1.7974729e+08 1.7974729e+08 1.7974729e+08 1.7974729e+08 2.2411525e-09 1.3026699e-08 4.062089e-09 
Loop time of 5.01e-07 on 1 procs for 0 steps with 4 atoms

199.6% CPU use with 1 MPI tasks x 1 OpenMP threads

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1684.00 ave        1684 max        1684 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      2696.00 ave        2696 max        2696 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2696
Ave neighs/atom = 674.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 55.9036982287295 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.6217690 1.6217690 1.6217690
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6217690 1.6217690 1.6217690)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6217690 1.6217690 1.6217690)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 9.385 | 9.385 | 9.385 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.621769            0     1.621769            0     1.621769    344.17647 2.9331757e+08 2.9331757e+08 2.9331757e+08 2.9331757e+08 2.9331757e+08 -2.6772482e-08  9.89998e-08 7.944171e-08 
Loop time of 5.31e-07 on 1 procs for 0 steps with 4 atoms

188.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.31e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2452.00 ave        2452 max        2452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      3160.00 ave        3160 max        3160 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 3160
Ave neighs/atom = 790.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 86.0441162659725 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.5076520 1.5076520 1.5076520
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5076520 1.5076520 1.5076520)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5076520 1.5076520 1.5076520)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 10.15 | 10.15 | 10.15 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.507652            0     1.507652            0     1.507652    534.28208 4.4409217e+08 4.4409217e+08 4.4409217e+08 4.4409217e+08 4.4409217e+08 7.9883279e-08 1.2504147e-07 7.7080357e-08 
Loop time of 5.11e-07 on 1 procs for 0 steps with 4 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.11e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2452.00 ave        2452 max        2452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      3832.00 ave        3832 max        3832 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 3832
Ave neighs/atom = 958.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 133.570519921285 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.3695300 1.3695300 1.3695300
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.3695300 1.3695300 1.3695300)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.3695300 1.3695300 1.3695300)
  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 = 5.8838
  ghost atom cutoff = 5.8838
  binsize = 2.9419, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.883800000000001
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 15.16 | 15.16 | 15.16 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0      1.36953            0      1.36953            0      1.36953     882.9108 9.1318904e+08 9.1318904e+08 9.1318904e+08 9.1318904e+08 9.1318904e+08 1.8419913e-07 2.0621993e-07 3.4132237e-07 
Loop time of 6.01e-07 on 1 procs for 0 steps with 4 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.01e-07   |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3426.00 ave        3426 max        3426 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:      5152.00 ave        5152 max        5152 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 5152
Ave neighs/atom = 1288.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 220.727700615316 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task
Total wall time: 0:00:00