LAMMPS (30 Jul 2021)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.1449500 3.1449500 3.1449500
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1449500 3.1449500 3.1449500)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1449500 3.1449500 3.1449500)
  create_atoms CPU = 0.000 seconds

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


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

Your simulation uses code contributions which should be cited:
- OpenKIM: https://doi.org/10.1007/s11837-011-0102-6
- OpenKIM potential: https://openkim.org/cite/MO_105008013807_000#item-citation
The log file lists these citations in BibTeX format.

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.083 | 5.083 | 5.083 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0      3.14495            0      3.14495            0      3.14495            0            0            0            0            0            0            0            0            0 
Loop time of 1.343e-06 on 1 procs for 0 steps with 4 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.343e-06  |            |       |100.00

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

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

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

Lattice spacing in x,y,z = 2.9342260 2.9342260 2.9342260
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9342260 2.9342260 2.9342260)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9342260 2.9342260 2.9342260)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.083 | 5.083 | 5.083 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.934226            0     2.934226            0     2.934226  -0.17902102   -629109.49   -629109.49   -629109.49   -629109.49   -629109.49 4.9287631e-11 -8.4493082e-11 -7.7451992e-11 
Loop time of 4.91e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        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: -0.044755254893414 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.8036280 2.8036280 2.8036280
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8036280 2.8036280 2.8036280)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8036280 2.8036280 2.8036280)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.083 | 5.083 | 5.083 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.803628            0     2.803628            0     2.803628   -3.0437684     -1181425     -1181425     -1181425     -1181425     -1181425 -2.2600469e-10 1.8564671e-10 -8.0715961e-12 
Loop time of 5.21e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        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: -0.76094210692005 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.7087410 2.7087410 2.7087410
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7087410 2.7087410 2.7087410)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7087410 2.7087410 2.7087410)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.708741            0     2.708741            0     2.708741   -3.4671673    -49361.01    -49361.01    -49361.01    -49361.01    -49361.01 -6.684456e-11 3.4680859e-11 1.0767847e-10 
Loop time of 5.01e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        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: -0.866791831009925 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.6341720 2.6341720 2.6341720
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6341720 2.6341720 2.6341720)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6341720 2.6341720 2.6341720)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.634172            0     2.634172            0     2.634172    -3.706471   -289563.58   -289563.58   -289563.58   -289563.58   -289563.58 2.5545682e-11 3.406091e-11 4.3792598e-11 
Loop time of 4.91e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        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: -0.92661776187854 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.5727350 2.5727350 2.5727350
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5727350 2.5727350 2.5727350)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5727350 2.5727350 2.5727350)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.572735            0     2.572735            0     2.572735   -3.9430124   -317737.37   -317737.37   -317737.37   -317737.37   -317737.37 -1.5668473e-11 2.4808416e-11 3.9171183e-12 
Loop time of 4.91e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        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: -0.985753104135872 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.5204910 2.5204910 2.5204910
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5204910 2.5204910 2.5204910)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5204910 2.5204910 2.5204910)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.520491            0     2.520491            0     2.520491   -4.1526241   -343499.88   -343499.88   -343499.88   -343499.88   -343499.88 2.6383278e-11 3.1937652e-11 3.888062e-11 
Loop time of 4.7e-07 on 1 procs for 0 steps with 4 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 4.7e-07    |            |       |100.00

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

Total # of neighbors = 312
Ave neighs/atom = 78.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.03815603049951 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.4750420 2.4750420 2.4750420
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4750420 2.4750420 2.4750420)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4750420 2.4750420 2.4750420)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.475042            0     2.475042            0     2.475042   -4.3412255   -367294.96   -367294.96   -367294.96   -367294.96   -367294.96 2.0531038e-11 -1.3198525e-11 -1.9064536e-11 
Loop time of 5.11e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        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: -1.08530636370645 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.4348240 2.4348240 2.4348240
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4348240 2.4348240 2.4348240)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4348240 2.4348240 2.4348240)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.434824            0     2.434824            0     2.434824   -4.5128841   -389437.55   -389437.55   -389437.55   -389437.55   -389437.55 3.6969121e-11 1.2939192e-10 1.2014964e-10 
Loop time of 4.91e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        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: -1.12822101311438 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.3987550 2.3987550 2.3987550
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3987550 2.3987550 2.3987550)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3987550 2.3987550 2.3987550)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.398755            0     2.398755            0     2.398755   -4.6705523   -410164.09   -410164.09   -410164.09   -410164.09   -410164.09 -7.8934889e-11 9.8265882e-11 9.9876798e-11 
Loop time of 4.91e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        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: -1.16763807706156 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.3660590 2.3660590 2.3660590
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3660590 2.3660590 2.3660590)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3660590 2.3660590 2.3660590)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.366059            0     2.366059            0     2.366059   -4.8164327   -429655.54   -429655.54   -429655.54   -429655.54   -429655.54 1.2925419e-10 5.0358774e-12 -1.0071755e-11 
Loop time of 4.91e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        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: -1.20410817795899 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.3361590 2.3361590 2.3361590
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3361590 2.3361590 2.3361590)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3361590 2.3361590 2.3361590)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.336159            0     2.336159            0     2.336159   -4.9522239   -448055.18   -448055.18   -448055.18   -448055.18   -448055.18 2.7902518e-11 -9.9402719e-11 -7.3244109e-11 
Loop time of 4.91e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        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: -1.23805596916643 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.3086130 2.3086130 2.3086130
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3086130 2.3086130 2.3086130)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3086130 2.3086130 2.3086130)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.308613            0     2.308613            0     2.308613   -5.0792726   -465479.71   -465479.71   -465479.71   -465479.71   -465479.71 -8.3125644e-11 1.6444421e-10 1.5902297e-10 
Loop time of 4.91e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        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: -1.26981815241677 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.2830780 2.2830780 2.2830780
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2830780 2.2830780 2.2830780)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2830780 2.2830780 2.2830780)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.283078            0     2.283078            0     2.283078   -5.1986525   -482023.75   -482023.75   -482023.75   -482023.75   -482023.75 -8.5946102e-11 4.1104657e-11 9.3419676e-12 
Loop time of 4.81e-07 on 1 procs for 0 steps with 4 atoms

207.9% 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   |            | 4.81e-07   |            |       |100.00

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

Total # of neighbors = 344
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.29966311709501 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.2592810 2.2592810 2.2592810
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2592810 2.2592810 2.2592810)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2592810 2.2592810 2.2592810)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.259281            0     2.259281            0     2.259281   -5.3112415   -497766.34   -497766.34   -497766.34   -497766.34   -497766.34 1.0604313e-10 8.097839e-11 1.1375536e-10 
Loop time of 5.01e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        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: -1.3278103777949 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.2369990 2.2369990 2.2369990
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2369990 2.2369990 2.2369990)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2369990 2.2369990 2.2369990)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.236999            0     2.236999            0     2.236999   -5.4177785   -512775.81   -512775.81   -512775.81   -512775.81   -512775.81 1.0129859e-10 2.3834963e-11 3.9724938e-12 
Loop time of 5.01e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        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: -1.35444462255685 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.2160520 2.2160520 2.2160520
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2160520 2.2160520 2.2160520)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2160520 2.2160520 2.2160520)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.216052            0     2.216052            0     2.216052   -5.5188696   -527108.63   -527108.63   -527108.63   -527108.63   -527108.63 1.2258632e-11 -6.129316e-11 -8.1724214e-11 
Loop time of 5.01e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        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: -1.3797174086683 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.1962880 2.1962880 2.1962880
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1962880 2.1962880 2.1962880)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1962880 2.1962880 2.1962880)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.196288            0     2.196288            0     2.196288   -5.6150417   -540815.31   -540815.31   -540815.31   -540815.31   -540815.31 6.5061553e-11 -5.8765274e-11 -5.0370235e-11 
Loop time of 5.21e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        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: -1.40376041291973 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.1775810 2.1775810 2.1775810
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1775810 2.1775810 2.1775810)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1775810 2.1775810 2.1775810)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.177581            0     2.177581            0     2.177581    -5.706738   -553938.77   -553938.77   -553938.77   -553938.77   -553938.77 -7.3212723e-11 2.5839785e-11 4.0912992e-11 
Loop time of 5.2e-07 on 1 procs for 0 steps with 4 atoms

192.3% CPU use with 1 MPI tasks x 1 OpenMP threads

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

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

Total # of neighbors = 536
Ave neighs/atom = 134.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.42668448874432 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.1598230 2.1598230 2.1598230
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1598230 2.1598230 2.1598230)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1598230 2.1598230 2.1598230)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.159823            0     2.159823            0     2.159823   -5.7943475   -566517.52   -566517.52   -566517.52   -566517.52   -566517.52 7.2826603e-11 -5.3847549e-10 -3.7516735e-10 
Loop time of 5.11e-07 on 1 procs for 0 steps with 4 atoms

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

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

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

Total # of neighbors = 536
Ave neighs/atom = 134.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.44858688354226 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.1429230 2.1429230 2.1429230
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1429230 2.1429230 2.1429230)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1429230 2.1429230 2.1429230)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.142923            0     2.142923            0     2.142923   -5.8782024   -578584.67   -578584.67   -578584.67   -578584.67   -578584.67 -1.6946194e-10 -3.0503149e-10 -2.2820874e-10 
Loop time of 5.01e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        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: -1.46955058867736 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.1268020 2.1268020 2.1268020
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1268020 2.1268020 2.1268020)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1268020 2.1268020 2.1268020)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.126802            0     2.126802            0     2.126802   -5.9585963   -590170.07   -590170.07   -590170.07   -590170.07   -590170.07 2.7504033e-10 9.4761795e-11 9.4761795e-11 
Loop time of 4.91e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        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: -1.48964906904653 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.1113910 2.1113910 2.1113910
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1113910 2.1113910 2.1113910)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1113910 2.1113910 2.1113910)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.111391            0     2.111391            0     2.111391   -6.0357907   -601300.78   -601300.78   -601300.78   -601300.78   -601300.78 1.204744e-10 7.7954025e-11 1.204744e-10 
Loop time of 4.81e-07 on 1 procs for 0 steps with 4 atoms

207.9% 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   |            | 4.81e-07   |            |       |100.00

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

Total # of neighbors = 536
Ave neighs/atom = 134.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.50894766835588 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.0966300 2.0966300 2.0966300
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0966300 2.0966300 2.0966300)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0966300 2.0966300 2.0966300)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0      2.09663            0      2.09663            0      2.09663   -6.1015377    730.80733    730.80733    730.80733    730.80733    730.80733 6.7549672e-11 -4.8249766e-11 -5.3074742e-11 
Loop time of 5e-07 on 1 procs for 0 steps with 4 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5e-07      |            |       |100.00

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

Total # of neighbors = 536
Ave neighs/atom = 134.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.5253844220348 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.0817070 2.0817070 2.0817070
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0817070 2.0817070 2.0817070)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0817070 2.0817070 2.0817070)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.081707            0     2.081707            0     2.081707   -5.9314286    2821853.1    2821853.1    2821853.1    2821853.1    2821853.1 2.3908015e-10 1.5527886e-10 1.7253207e-11 
Loop time of 5.01e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        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: -1.48285715181831 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.0663300 2.0663300 2.0663300
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0663300 2.0663300 2.0663300)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0663300 2.0663300 2.0663300)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0      2.06633            0      2.06633            0      2.06633   -5.3979711    5790924.1    5790924.1    5790924.1    5790924.1    5790924.1 -1.7389242e-10 1.9153368e-10 -1.9657404e-10 
Loop time of 5.01e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        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: -1.34949276379065 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.0504680 2.0504680 2.0504680
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0504680 2.0504680 2.0504680)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0504680 2.0504680 2.0504680)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.050468            0     2.050468            0     2.050468   -4.4864797    8638371.7    8638371.7    8638371.7    8638371.7    8638371.7 7.7373611e-12 7.8663171e-11 -5.0292847e-11 
Loop time of 4.81e-07 on 1 procs for 0 steps with 4 atoms

207.9% 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   |            | 4.81e-07   |            |       |100.00

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

Total # of neighbors = 536
Ave neighs/atom = 134.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.12161991886189 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.0340910 2.0340910 2.0340910
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0340910 2.0340910 2.0340910)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0340910 2.0340910 2.0340910)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.034091            0     2.034091            0     2.034091   -3.2228463     11004273     11004273     11004273     11004273     11004273 -1.1294203e-10 5.9278053e-10 5.7824998e-10 
Loop time of 4.8e-07 on 1 procs for 0 steps with 4 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 4.8e-07    |            |       |100.00

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

Total # of neighbors = 560
Ave neighs/atom = 140.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.805711572319808 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 2.0171640 2.0171640 2.0171640
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0171640 2.0171640 2.0171640)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0171640 2.0171640 2.0171640)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     2.017164            0     2.017164            0     2.017164   -1.6795407     12574006     12574006     12574006     12574006     12574006 3.7925823e-10 1.0158702e-10 -5.2825253e-11 
Loop time of 4.91e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      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: -0.419885185154708 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.9996490 1.9996490 1.9996490
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9996490 1.9996490 1.9996490)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9996490 1.9996490 1.9996490)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.999649            0     1.999649            0     1.999649  0.035628172     13192354     13192354     13192354     13192354     13192354 3.2535325e-10 7.5359599e-10 5.8396737e-11 
Loop time of 4.91e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      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: 0.00890704305851985 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.9815040 1.9815040 1.9815040
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9815040 1.9815040 1.9815040)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9815040 1.9815040 1.9815040)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.981504            0     1.981504            0     1.981504    1.7993676     12856204     12856204     12856204     12856204     12856204 -3.372312e-10 6.8589397e-11 4.1153638e-10 
Loop time of 4.91e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      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: 0.44984190392161 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.9626810 1.9626810 1.9626810
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9626810 1.9626810 1.9626810)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9626810 1.9626810 1.9626810)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.962681            0     1.962681            0     1.962681    3.4869113     11625744     11625744     11625744     11625744     11625744 7.0581793e-11 -2.8232717e-10 3.646726e-10 
Loop time of 5.01e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      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: 0.87172782043496 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.9431280 1.9431280 1.9431280
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9431280 1.9431280 1.9431280)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9431280 1.9431280 1.9431280)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.943128            0     1.943128            0     1.943128    4.9744555    9547654.5    9547654.5    9547654.5    9547654.5    9547654.5 6.0005569e-10 -4.1822063e-10 -2.8487493e-10 
Loop time of 4.9e-07 on 1 procs for 0 steps with 4 atoms

204.1% 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   |            | 4.9e-07    |            |       |100.00

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

Total # of neighbors = 560
Ave neighs/atom = 140.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 1.2436138628961 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.9227850 1.9227850 1.9227850
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9227850 1.9227850 1.9227850)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9227850 1.9227850 1.9227850)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.922785            0     1.922785            0     1.922785    6.1350087    6629408.4    6629408.4    6629408.4    6629408.4    6629408.4 1.8766776e-10 6.2555921e-10 1.5013421e-10 
Loop time of 4.71e-07 on 1 procs for 0 steps with 4 atoms

212.3% 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   |            | 4.71e-07   |            |       |100.00

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

Total # of neighbors = 704
Ave neighs/atom = 176.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 1.53375218048979 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.9015880 1.9015880 1.9015880
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9015880 1.9015880 1.9015880)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9015880 1.9015880 1.9015880)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.901588            0     1.901588            0     1.901588    6.8328249    2855941.4    2855941.4    2855941.4    2855941.4    2855941.4 -6.4671258e-11 -9.3126612e-10 -1.1770169e-09 
Loop time of 4.81e-07 on 1 procs for 0 steps with 4 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 4.81e-07   |            |       |100.00

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

Total # of neighbors = 704
Ave neighs/atom = 176.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 1.70820623574829 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.8794590 1.8794590 1.8794590
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8794590 1.8794590 1.8794590)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8794590 1.8794590 1.8794590)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.879459            0     1.879459            0     1.879459    7.2234993    2723092.5    2723092.5    2723092.5    2723092.5    2723092.5 -1.7415477e-10 -4.5548171e-10 -4.8227475e-10 
Loop time of 4.81e-07 on 1 procs for 0 steps with 4 atoms

207.9% 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   |            | 4.81e-07   |            |       |100.00

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

Total # of neighbors = 704
Ave neighs/atom = 176.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 1.80587482175363 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.8563150 1.8563150 1.8563150
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8563150 1.8563150 1.8563150)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8563150 1.8563150 1.8563150)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.856315            0     1.856315            0     1.856315    7.6512256    2938309.9    2938309.9    2938309.9    2938309.9    2938309.9 3.6150051e-10 6.9519329e-11 4.1711598e-11 
Loop time of 4.91e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      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: 1.91280640193039 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.8320560 1.8320560 1.8320560
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8320560 1.8320560 1.8320560)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8320560 1.8320560 1.8320560)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.832056            0     1.832056            0     1.832056    8.1237082    3182819.3    3182819.3    3182819.3    3182819.3    3182819.3 1.0124472e-09 3.181977e-10 3.615883e-10 
Loop time of 4.91e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      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: 2.03092705722287 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.8065710 1.8065710 1.8065710
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8065710 1.8065710 1.8065710)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8065710 1.8065710 1.8065710)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.806571            0     1.806571            0     1.806571    8.6480924    3462453.8    3462453.8    3462453.8    3462453.8    3462453.8 -1.0106489e-09 -1.6894429e-09 -1.7196115e-09 
Loop time of 4.81e-07 on 1 procs for 0 steps with 4 atoms

207.9% 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   |            | 4.81e-07   |            |       |100.00

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

Total # of neighbors = 800
Ave neighs/atom = 200.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 2.16202309031092 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.7797290 1.7797290 1.7797290
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7797290 1.7797290 1.7797290)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7797290 1.7797290 1.7797290)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.779729            0     1.779729            0     1.779729    9.2331625    3784648.2    3784648.2    3784648.2    3784648.2    3784648.2 -5.364236e-10 5.837551e-10 4.5753778e-10 
Loop time of 4.91e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      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: 2.30829062542564 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.7513770 1.7513770 1.7513770
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7513770 1.7513770 1.7513770)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7513770 1.7513770 1.7513770)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.751377            0     1.751377            0     1.751377     9.889776    4158974.2    4158974.2    4158974.2    4158974.2    4158974.2 9.9335142e-10 -5.1323157e-10 -4.1389642e-10 
Loop time of 5.01e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      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: 2.47244399729219 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.7213350 1.7213350 1.7213350
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7213350 1.7213350 1.7213350)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7213350 1.7213350 1.7213350)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.721335            0     1.721335            0     1.721335    10.631502    4597934.4    4597934.4    4597934.4    4597934.4    4597934.4 -2.2669281e-10 4.185098e-10 5.2313725e-10 
Loop time of 4.8e-07 on 1 procs for 0 steps with 4 atoms

208.3% 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   |            | 4.8e-07    |            |       |100.00

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

Total # of neighbors = 896
Ave neighs/atom = 224.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 2.65787558149685 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.6893880 1.6893880 1.6893880
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6893880 1.6893880 1.6893880)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6893880 1.6893880 1.6893880)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.689388            0     1.689388            0     1.689388    14.755356     51241571     51241571     51241571     51241571     51241571 -5.9027223e-10 3.8367695e-09 3.3202813e-09 
Loop time of 4.91e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      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: 3.6888389533397 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.6552790 1.6552790 1.6552790
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6552790 1.6552790 1.6552790)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6552790 1.6552790 1.6552790)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.116 | 5.116 | 5.116 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.655279            0     1.655279            0     1.655279    27.067083     79748565     79748565     79748565     79748565     79748565 -3.5925469e-08 -6.9027102e-09 -6.2751911e-09 
Loop time of 4.91e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        662.000 ave         662 max         662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      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: 6.7667708037446 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.6186940 1.6186940 1.6186940
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6186940 1.6186940 1.6186940)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6186940 1.6186940 1.6186940)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.501 | 5.501 | 5.501 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.618694            0     1.618694            0     1.618694    41.908534     78493788     78493788     78493788     78493788     78493788 -6.8361868e-08 -2.675759e-08 -2.7554446e-08 
Loop time of 4.71e-07 on 1 procs for 0 steps with 4 atoms

212.3% 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   |            | 4.71e-07   |            |       |100.00

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

Total # of neighbors = 992
Ave neighs/atom = 248.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 10.4771334931211 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.5792450 1.5792450 1.5792450
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5792450 1.5792450 1.5792450)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5792450 1.5792450 1.5792450)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.882 | 5.882 | 5.882 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.579245            0     1.579245            0     1.579245    54.995136     56297984     56297984     56297984     56297984     56297984 5.3742643e-09 1.8064754e-09 -9.0323769e-10 
Loop time of 4.91e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        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: 13.7487840626633 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.5364450 1.5364450 1.5364450
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5364450 1.5364450 1.5364450)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5364450 1.5364450 1.5364450)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.882 | 5.882 | 5.882 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.536445            0     1.536445            0     1.536445    62.342912     28827736     28827736     28827736     28827736     28827736 1.5969351e-07 1.4721228e-07 1.4396937e-07 
Loop time of 4.81e-07 on 1 procs for 0 steps with 4 atoms

207.9% 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   |            | 4.81e-07   |            |       |100.00

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

Total # of neighbors = 1280
Ave neighs/atom = 320.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 15.5857278972033 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.4896710 1.4896710 1.4896710
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.4896710 1.4896710 1.4896710)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.4896710 1.4896710 1.4896710)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.882 | 5.882 | 5.882 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.489671            0     1.489671            0     1.489671    68.614836     33932747     33932747     33932747     33932747     33932747 1.9952128e-07 -1.0933852e-07 -1.0577372e-07 
Loop time of 5.21e-07 on 1 procs for 0 steps with 4 atoms

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

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

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

Total # of neighbors = 1472
Ave neighs/atom = 368.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 17.1537090324614 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.4381090 1.4381090 1.4381090
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.4381090 1.4381090 1.4381090)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.4381090 1.4381090 1.4381090)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.882 | 5.882 | 5.882 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.438109            0     1.438109            0     1.438109    79.725134     76350527     76350527     76350527     76350527     76350527 6.0643342e-08 -1.5441924e-07 -1.56034e-07 
Loop time of 4.81e-07 on 1 procs for 0 steps with 4 atoms

207.9% 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   |            | 4.81e-07   |            |       |100.00

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

Total # of neighbors = 1520
Ave neighs/atom = 380.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 19.9312834137106 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.3806660 1.3806660 1.3806660
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.3806660 1.3806660 1.3806660)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.3806660 1.3806660 1.3806660)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.882 | 5.882 | 5.882 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.380666            0     1.380666            0     1.380666    98.733986     91850758     91850758     91850758     91850758     91850758 -2.2898029e-07 -4.7309977e-09 -1.6592285e-08 
Loop time of 4.91e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        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: 24.683496587963 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.3158260 1.3158260 1.3158260
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.3158260 1.3158260 1.3158260)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.3158260 1.3158260 1.3158260)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.081 | 7.081 | 7.081 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.315826            0     1.315826            0     1.315826    116.93776 1.1675683e+08 1.1675683e+08 1.1675683e+08 1.1675683e+08 1.1675683e+08 -1.8855686e-08 -2.1861665e-08 -1.7411254e-08 
Loop time of 4.81e-07 on 1 procs for 0 steps with 4 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 4.81e-07   |            |       |100.00

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

Total # of neighbors = 2120
Ave neighs/atom = 530.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 29.2344407727117 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.2413980 1.2413980 1.2413980
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.2413980 1.2413980 1.2413980)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.2413980 1.2413980 1.2413980)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.463 | 7.463 | 7.463 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.241398            0     1.241398            0     1.241398    164.36869 2.4480237e+08 2.4480237e+08 2.4480237e+08 2.4480237e+08 2.4480237e+08 -3.2170926e-08 -2.5662357e-08 -2.5290439e-08 
Loop time of 4.91e-07 on 1 procs for 0 steps with 4 atoms

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

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

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

Total # of neighbors = 2408
Ave neighs/atom = 602.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 41.0921715581637 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.1540470 1.1540470 1.1540470
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.1540470 1.1540470 1.1540470)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.1540470 1.1540470 1.1540470)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 9.385 | 9.385 | 9.385 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0     1.154047            0     1.154047            0     1.154047      215.241 2.6038889e+08 2.6038889e+08 2.6038889e+08 2.6038889e+08 2.6038889e+08 -1.1020928e-06 -1.0717279e-06 -1.0959736e-06 
Loop time of 4.91e-07 on 1 procs for 0 steps with 4 atoms

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

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

Nlocal:        4.00000 ave           4 max           4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2452.00 ave        2452 max        2452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      3064.00 ave        3064 max        3064 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 3064
Ave neighs/atom = 766.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 53.8102510696943 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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 = 1.0483200 1.0483200 1.0483200
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.0483200 1.0483200 1.0483200)
  1 by 1 by 1 MPI processor grid
Created 4 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.0483200 1.0483200 1.0483200)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 10.15 | 10.15 | 10.15 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        4            0      1.04832            0      1.04832            0      1.04832    335.01111 7.6503594e+08 7.6503594e+08 7.6503594e+08 7.6503594e+08 7.6503594e+08 2.0982558e-07 -5.2000923e-07 -1.3509741e-07 
Loop time of 4.91e-07 on 1 procs for 0 steps with 4 atoms

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

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

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

Total # of neighbors = 3832
Ave neighs/atom = 958.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 83.752776900482 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task
Total wall time: 0:00:00