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 = 0.001 seconds

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


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

Your simulation uses code contributions which should be cited:
- OpenKIM: https://doi.org/10.1007/s11837-011-0102-6
- OpenKIM potential: https://openkim.org/cite/MO_408791041969_004#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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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 1.0595e-05 on 1 procs for 0 steps with 4 atoms

94.4% 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   |            | 1.06e-05   |            |       |100.00

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

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

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

Lattice spacing in x,y,z = 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 = 0.001 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.083 | 5.083 | 5.083 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     3.833289            0     3.833289            0     3.833289            0            0            0            0            0            0            0            0            0 
Loop time of 1.0324e-05 on 1 procs for 0 steps with 4 atoms

213.1% 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   |            | 1.032e-05  |            |       |100.00

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

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

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

Lattice spacing in x,y,z = 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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.083 | 5.083 | 5.083 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     3.662675            0     3.662675            0     3.662675            0            0            0            0            0            0            0            0            0 
Loop time of 6.696e-06 on 1 procs for 0 steps with 4 atoms

89.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.696e-06  |            |       |100.00

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

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

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

Lattice spacing in x,y,z = 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 = 0.001 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.083 | 5.083 | 5.083 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     3.538715            0     3.538715            0     3.538715            0            0            0            0            0            0            0            0            0 
Loop time of 7.146e-06 on 1 procs for 0 steps with 4 atoms

70.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.146e-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 = 3.4412970 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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.083 | 5.083 | 5.083 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     3.441297            0     3.441297            0     3.441297            0            0            0            0            0            0            0            0            0 
Loop time of 6.996e-06 on 1 procs for 0 steps with 4 atoms

243.0% 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   |            | 6.996e-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 = 3.3610360 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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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 7.006e-06 on 1 procs for 0 steps with 4 atoms

85.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.006e-06  |            |       |100.00

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

Total # of neighbors = 216
Ave neighs/atom = 54.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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 6.906e-06 on 1 procs for 0 steps with 4 atoms

72.4% 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   |            | 6.906e-06  |            |       |100.00

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

Total # of neighbors = 216
Ave neighs/atom = 54.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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 6.515e-06 on 1 procs for 0 steps with 4 atoms

76.7% 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   |            | 6.515e-06  |            |       |100.00

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

Total # of neighbors = 216
Ave neighs/atom = 54.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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 7.056e-06 on 1 procs for 0 steps with 4 atoms

184.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.056e-06  |            |       |100.00

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

Total # of neighbors = 312
Ave neighs/atom = 78.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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 6.846e-06 on 1 procs for 0 steps with 4 atoms

175.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.846e-06  |            |       |100.00

Nlocal:        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 = 3.0910330 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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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 6.786e-06 on 1 procs for 0 steps with 4 atoms

191.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.786e-06  |            |       |100.00

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

Total # of neighbors = 312
Ave neighs/atom = 78.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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 7.257e-06 on 1 procs for 0 steps with 4 atoms

68.9% 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   |            | 7.257e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        360.000 ave         360 max         360 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      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 = 3.0159860 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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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  -0.48327723   -2208362.4   -2208362.4   -2208362.4   -2208362.4   -2208362.4 1.296769e-10 1.296769e-10 7.780614e-11 
Loop time of 7.026e-06 on 1 procs for 0 steps with 4 atoms

185.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.026e-06  |            |       |100.00

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

Total # of neighbors = 312
Ave neighs/atom = 78.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.120819307915512 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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   -2.2360585   -3723413.4   -3723413.4   -3723413.4   -3723413.4   -3723413.4 3.4859977e-10            0 -1.2066915e-10 
Loop time of 6.616e-06 on 1 procs for 0 steps with 4 atoms

181.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.616e-06  |            |       |100.00

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

Total # of neighbors = 312
Ave neighs/atom = 78.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.5590146278344 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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   -4.2244888   -3918134.2   -3918134.2   -3918134.2   -3918134.2   -3918134.2 -1.3835837e-11 -3.4589593e-10 -1.3835837e-10 
Loop time of 6.966e-06 on 1 procs for 0 steps with 4 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.966e-06  |            |       |100.00

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

Total # of neighbors = 312
Ave neighs/atom = 78.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.05612220678784 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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     2.922429            0     2.922429            0     2.922429   -6.0195881   -3676437.7   -3676437.7   -3676437.7   -3676437.7   -3676437.7 9.9773847e-11 -1.4253407e-11 -1.2828066e-10 
Loop time of 7.187e-06 on 1 procs for 0 steps with 4 atoms

264.4% 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   |            | 7.187e-06  |            |       |100.00

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

Total # of neighbors = 312
Ave neighs/atom = 78.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.50489702560996 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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     2.895063            0     2.895063            0     2.895063   -7.5331509   -3285368.6   -3285368.6   -3285368.6   -3285368.6   -3285368.6 7.3307183e-11 -1.7593724e-10 -2.3458299e-10 
Loop time of 6.576e-06 on 1 procs for 0 steps with 4 atoms

197.7% 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   |            | 6.576e-06  |            |       |100.00

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

Total # of neighbors = 344
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.88328771409749 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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     2.869244            0     2.869244            0     2.869244   -8.7634896   -2828789.7   -2828789.7   -2828789.7   -2828789.7   -2828789.7 -2.4097285e-10            0 -6.0243213e-11 
Loop time of 6.765e-06 on 1 procs for 0 steps with 4 atoms

103.5% 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   |            | 6.765e-06  |            |       |100.00

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

Total # of neighbors = 344
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.19087239319318 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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     2.844805            0     2.844805            0     2.844805   -9.7306165   -2340378.9   -2340378.9   -2340378.9   -2340378.9   -2340378.9 -9.2713788e-11 -1.0816609e-10 -1.3907068e-10 
Loop time of 7.357e-06 on 1 procs for 0 steps with 4 atoms

54.4% 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   |            | 7.357e-06  |            |       |100.00

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

Total # of neighbors = 344
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.43265412046012 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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     2.821606            0     2.821606            0     2.821606   -10.460596   -1840502.7   -1840502.7   -1840502.7   -1840502.7   -1840502.7 1.0293779e-10 5.5428039e-11 6.3346331e-11 
Loop time of 6.966e-06 on 1 procs for 0 steps with 4 atoms

71.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.966e-06  |            |       |100.00

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

Total # of neighbors = 344
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.61514890979997 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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     2.799528            0     2.799528            0     2.799528   -10.981249   -1344773.9   -1344773.9   -1344773.9   -1344773.9   -1344773.9 8.9178225e-11 7.2964003e-11 4.8642668e-11 
Loop time of 6.655e-06 on 1 procs for 0 steps with 4 atoms

75.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.655e-06  |            |       |100.00

Nlocal:        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: -2.74531234050648 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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     2.778467            0     2.778467            0     2.778467   -11.320504   -866037.83   -866037.83   -866037.83   -866037.83   -866037.83 -4.7269359e-10 4.022042e-10 2.6122541e-10 
Loop time of 6.705e-06 on 1 procs for 0 steps with 4 atoms

74.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.705e-06  |            |       |100.00

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

Total # of neighbors = 344
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.8301259882727 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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     2.758334            0     2.758334            0     2.758334   -11.505414   -414941.14   -414941.14   -414941.14   -414941.14   -414941.14 -2.9665254e-11 -4.6616828e-11 7.4163135e-11 
Loop time of 6.805e-06 on 1 procs for 0 steps with 4 atoms

191.0% 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   |            | 6.805e-06  |            |       |100.00

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

Total # of neighbors = 344
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.8763535206841 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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      2.73905            0      2.73905            0      2.73905   -11.561644   -36.824167   -36.824167   -36.824167   -36.824167   -36.824167 3.0757323e-10 4.179706e-10 3.5480756e-10 
Loop time of 6.435e-06 on 1 procs for 0 steps with 4 atoms

217.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.435e-06  |            |       |100.00

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

Total # of neighbors = 344
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.89041091589797 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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     2.719555            0     2.719555            0     2.719555   -11.507832    391073.18    391073.18    391073.18    391073.18    391073.18 -1.1054448e-10 -6.6326688e-12 -9.9490032e-11 
Loop time of 6.906e-06 on 1 procs for 0 steps with 4 atoms

57.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.906e-06  |            |       |100.00

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

Total # of neighbors = 344
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.87695799945755 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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     2.699466            0     2.699466            0     2.699466   -11.348957    752388.62    752388.62    752388.62    752388.62    752388.62 -2.1249801e-10 -4.1595355e-10 -4.9281453e-10 
Loop time of 7.196e-06 on 1 procs for 0 steps with 4 atoms

69.5% 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   |            | 7.196e-06  |            |       |100.00

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

Total # of neighbors = 344
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.83723920270487 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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     2.678744            0     2.678744            0     2.678744   -11.092167    1068162.7    1068162.7    1068162.7    1068162.7    1068162.7 -2.9149929e-10 3.5164994e-10  3.42396e-10 
Loop time of 7.217e-06 on 1 procs for 0 steps with 4 atoms

55.4% 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   |            | 7.217e-06  |            |       |100.00

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

Total # of neighbors = 536
Ave neighs/atom = 134.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.77304178135565 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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     2.657349            0     2.657349            0     2.657349   -10.749709    1320822.9    1320822.9    1320822.9    1320822.9    1320822.9 9.479268e-11 2.9385731e-10 1.1849085e-10 
Loop time of 6.745e-06 on 1 procs for 0 steps with 4 atoms

74.1% 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   |            | 6.745e-06  |            |       |100.00

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

Total # of neighbors = 536
Ave neighs/atom = 134.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.68742732064998 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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     2.635236            0     2.635236            0     2.635236   -10.339677    1491694.6    1491694.6    1491694.6    1491694.6    1491694.6 5.8319433e-11 1.9439811e-10 1.749583e-10 
Loop time of 6.856e-06 on 1 procs for 0 steps with 4 atoms

72.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.856e-06  |            |       |100.00

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

Total # of neighbors = 536
Ave neighs/atom = 134.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.58491930622848 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 0.001 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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     2.612354            0     2.612354            0     2.612354   -9.8855838    1602076.2    1602076.2    1602076.2    1602076.2    1602076.2 -5.9865381e-11 -1.5964102e-10 -1.9955127e-10 
Loop time of 1.0535e-05 on 1 procs for 0 steps with 4 atoms

57.0% 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   |            | 1.053e-05  |            |       |100.00

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

Total # of neighbors = 536
Ave neighs/atom = 134.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.47139594379564 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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     2.588649            0     2.588649            0     2.588649   -9.3631358      1885096      1885096      1885096      1885096      1885096 6.1525101e-11 4.1016734e-11 1.6406694e-10 
Loop time of 6.986e-06 on 1 procs for 0 steps with 4 atoms

85.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.986e-06  |            |       |100.00

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

Total # of neighbors = 536
Ave neighs/atom = 134.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.34078395488625 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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     2.564058            0     2.564058            0     2.564058   -8.7378277      2214167      2214167      2214167      2214167      2214167 -2.4269727e-10 2.6380138e-10 2.6380138e-10 
Loop time of 6.796e-06 on 1 procs for 0 steps with 4 atoms

73.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.796e-06  |            |       |100.00

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

Total # of neighbors = 536
Ave neighs/atom = 134.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.18445691570914 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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     2.538513            0     2.538513            0     2.538513   -7.9900117    2598548.9    2598548.9    2598548.9    2598548.9    2598548.9 1.631074e-10 1.8485506e-10 2.7184567e-10 
Loop time of 7.949e-06 on 1 procs for 0 steps with 4 atoms

62.9% 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   |            | 7.949e-06  |            |       |100.00

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

Total # of neighbors = 536
Ave neighs/atom = 134.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.99750291491736 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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   -7.0955772    3049803.9    3049803.9    3049803.9    3049803.9    3049803.9 -5.3868524e-10 -3.5912349e-10 -3.5912349e-10 
Loop time of 6.705e-06 on 1 procs for 0 steps with 4 atoms

59.7% 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   |            | 6.705e-06  |            |       |100.00

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

Total # of neighbors = 560
Ave neighs/atom = 140.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.77389429106366 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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   -6.0246183    3582549.2    3582549.2    3582549.2    3582549.2    3582549.2 3.0165509e-10 3.9447204e-10 4.6408476e-10 
Loop time of 7.247e-06 on 1 procs for 0 steps with 4 atoms

69.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.247e-06  |            |       |100.00

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

Total # of neighbors = 560
Ave neighs/atom = 140.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.50615456819492 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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   -4.7399016    4215359.6    4215359.6    4215359.6    4215359.6    4215359.6 -2.4033542e-11 7.2100627e-11 7.2100627e-11 
Loop time of 6.976e-06 on 1 procs for 0 steps with 4 atoms

71.7% 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   |            | 6.976e-06  |            |       |100.00

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

Total # of neighbors = 560
Ave neighs/atom = 140.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.18497539198246 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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   -3.1946411    4972103.7    4972103.7    4972103.7    4972103.7    4972103.7 1.746062e-10 4.4898738e-10 3.4921241e-10 
Loop time of 6.716e-06 on 1 procs for 0 steps with 4 atoms

193.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.716e-06  |            |       |100.00

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

Total # of neighbors = 560
Ave neighs/atom = 140.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.79866028411701 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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   -1.3294142    5883842.4    5883842.4    5883842.4    5883842.4    5883842.4 1.5568654e-10 4.6705963e-10 4.6705963e-10 
Loop time of 7.106e-06 on 1 procs for 0 steps with 4 atoms

70.4% 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   |            | 7.106e-06  |            |       |100.00

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

Total # of neighbors = 560
Ave neighs/atom = 140.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.332353553946535 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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   0.93202379    6991495.7    6991495.7    6991495.7    6991495.7    6991495.7 -3.5179887e-10 -1.0012737e-09 -1.1636424e-09 
Loop time of 6.896e-06 on 1 procs for 0 steps with 4 atoms

58.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.896e-06  |            |       |100.00

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

Total # of neighbors = 704
Ave neighs/atom = 176.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.233005947492718 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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     2.325048            0     2.325048            0     2.325048    3.6884438    8349631.3    8349631.3    8349631.3    8349631.3    8349631.3 -5.6608912e-10 -1.4152228e-09 -1.6416585e-09 
Loop time of 6.796e-06 on 1 procs for 0 steps with 4 atoms

176.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.796e-06  |            |       |100.00

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

Total # of neighbors = 704
Ave neighs/atom = 176.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.92211094751745 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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     2.288009            0     2.288009            0     2.288009    7.0695556     10032206     10032206     10032206     10032206     10032206 -1.1880573e-10 -8.3164011e-10 -1.8414888e-09 
Loop time of 6.716e-06 on 1 procs for 0 steps with 4 atoms

193.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.716e-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: 1.76738888840851 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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     2.248762            0     2.248762            0     2.248762    11.248229     12141237     12141237     12141237     12141237     12141237 8.7594761e-10 1.4390568e-09 1.4390568e-09 
Loop time of 7.087e-06 on 1 procs for 0 steps with 4 atoms

56.4% 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   |            | 7.087e-06  |            |       |100.00

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

Total # of neighbors = 800
Ave neighs/atom = 200.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 2.81205725044663 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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     2.207026            0     2.207026            0     2.207026    16.458373     14820099     14820099     14820099     14820099     14820099 -7.2803275e-10 -8.6040234e-10 -2.6473918e-10 
Loop time of 7.067e-06 on 1 procs for 0 steps with 4 atoms

56.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.067e-06  |            |       |100.00

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

Total # of neighbors = 800
Ave neighs/atom = 200.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 4.1145932318292 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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     2.162466            0     2.162466            0     2.162466    23.021623     18274414     18274414     18274414     18274414     18274414 -1.7590279e-09 -2.6737224e-09 -2.2515557e-09 
Loop time of 6.576e-06 on 1 procs for 0 steps with 4 atoms

182.5% 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   |            | 6.576e-06  |            |       |100.00

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

Total # of neighbors = 800
Ave neighs/atom = 200.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 5.7554058691133 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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     2.114671            0     2.114671            0     2.114671    31.914449     26350488     26350488     26350488     26350488     26350488 -3.0096233e-09 -1.2038493e-09 -7.5240583e-10 
Loop time of 7.367e-06 on 1 procs for 0 steps with 4 atoms

67.9% 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   |            | 7.367e-06  |            |       |100.00

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

Total # of neighbors = 896
Ave neighs/atom = 224.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 7.97861235795155 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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     2.063134            0     2.063134            0     2.063134    45.220631     36850743     36850743     36850743     36850743     36850743 -1.296338e-09 -7.778028e-09 -7.4539435e-09 
Loop time of 6.886e-06 on 1 procs for 0 steps with 4 atoms

72.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.886e-06  |            |       |100.00

Nlocal:        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: 11.3051577548792 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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      2.00722            0      2.00722            0      2.00722    63.521522     47582026     47582026     47582026     47582026     47582026 -5.4549069e-09 -5.8068364e-09 -4.7510479e-09 
Loop time of 7.186e-06 on 1 procs for 0 steps with 4 atoms

167.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.186e-06  |            |       |100.00

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

Total # of neighbors = 992
Ave neighs/atom = 248.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 15.8803803777939 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.882 | 5.882 | 5.882 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.946114            0     1.946114            0     1.946114    87.447392     59803197     59803197     59803197     59803197     59803197 7.1434411e-09 -3.8613195e-09 -3.8613195e-09 
Loop time of 6.675e-06 on 1 procs for 0 steps with 4 atoms

59.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.675e-06  |            |       |100.00

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

Total # of neighbors = 1280
Ave neighs/atom = 320.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 21.8618480777561 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.882 | 5.882 | 5.882 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.878753            0     1.878753            0     1.878753    118.48332     75295649     75295649     75295649     75295649     75295649 -1.0300131e-08 -1.6308541e-08 -1.6737713e-08 
Loop time of 7.157e-06 on 1 procs for 0 steps with 4 atoms

195.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.157e-06  |            |       |100.00

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

Total # of neighbors = 1280
Ave neighs/atom = 320.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 29.6208305298845 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.882 | 5.882 | 5.882 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.803709            0     1.803709            0     1.803709     159.7456 1.0150884e+08 1.0150884e+08 1.0150884e+08 1.0150884e+08 1.0150884e+08 -4.8499935e-09 -4.3649941e-09 -6.3049915e-09 
Loop time of 6.836e-06 on 1 procs for 0 steps with 4 atoms

219.4% 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   |            | 6.836e-06  |            |       |100.00

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

Total # of neighbors = 1472
Ave neighs/atom = 368.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 39.9363999434015 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.882 | 5.882 | 5.882 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.719002            0     1.719002            0     1.719002    223.61466 1.7974723e+08 1.7974723e+08 1.7974723e+08 1.7974723e+08 1.7974723e+08 -1.9820193e-08 -1.1345835e-07 -1.1023669e-07 
Loop time of 7.067e-06 on 1 procs for 0 steps with 4 atoms

70.8% 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   |            | 7.067e-06  |            |       |100.00

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

Total # of neighbors = 1712
Ave neighs/atom = 428.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 55.903664293503 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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     1.621769            0     1.621769            0     1.621769    344.17629 2.9331746e+08 2.9331746e+08 2.9331746e+08 2.9331746e+08 2.9331746e+08 -2.5104414e-08 5.7798535e-08 5.6505783e-08 
Loop time of 6.535e-06 on 1 procs for 0 steps with 4 atoms

229.5% 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   |            | 6.535e-06  |            |       |100.00

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

Total # of neighbors = 2120
Ave neighs/atom = 530.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 86.0440716076638 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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     1.507652            0     1.507652            0     1.507652    534.28183 4.4409202e+08 4.4409202e+08 4.4409202e+08 4.4409202e+08 4.4409202e+08 9.3430736e-10 -2.5200346e-07 -2.993417e-07 
Loop time of 6.655e-06 on 1 procs for 0 steps with 4 atoms

180.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.655e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1684.00 ave        1684 max        1684 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      2504.00 ave        2504 max        2504 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2504
Ave neighs/atom = 626.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 133.570457821868 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 5.05
  ghost atom cutoff = 5.05
  binsize = 2.525, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.05
      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      1.36953            0      1.36953            0      1.36953    882.91044 9.1318875e+08 9.1318875e+08 9.1318875e+08 9.1318875e+08 9.1318875e+08 1.505447e-07 2.5067701e-07 2.9444162e-07 
Loop time of 6.956e-06 on 1 procs for 0 steps with 4 atoms

71.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.956e-06  |            |       |100.00

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2452.00 ave        2452 max        2452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      3544.00 ave        3544 max        3544 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 3544
Ave neighs/atom = 886.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 220.727610037128 eV/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: 0:00:06