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 = 3.9831600 3.9831600 3.9831600
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.9831600 3.9831600 3.9831600)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.9831600 3.9831600 3.9831600)
  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_623376124862_001#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 = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.082 | 5.082 | 5.082 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0      3.98316            0      3.98316            0      3.98316   -1.5327249   -38107.709   -38107.709   -38107.709   -38107.709   -38107.709            0            0            0 
Loop time of 3.393e-06 on 1 procs for 0 steps with 1 atoms

88.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 3.393e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        63.0000 ave          63 max          63 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      26.0000 ave          26 max          26 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 26
Ave neighs/atom = 26.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.53272492383069 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.7162740 3.7162740 3.7162740
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.7162740 3.7162740 3.7162740)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.7162740 3.7162740 3.7162740)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     3.716274            0     3.716274            0     3.716274   -1.8947298   -55169.829   -55169.829   -55169.829   -55169.829   -55169.829            0            0            0 
Loop time of 2.14e-06 on 1 procs for 0 steps with 1 atoms

93.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.14e-06   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      32.0000 ave          32 max          32 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 32
Ave neighs/atom = 32.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.89472982404168 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.5508680 3.5508680 3.5508680
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.5508680 3.5508680 3.5508680)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.5508680 3.5508680 3.5508680)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     3.550868            0     3.550868            0     3.550868   -2.1192462   -57146.657   -57146.657   -57146.657   -57146.657   -57146.657            0            0            0 
Loop time of 2.37e-06 on 1 procs for 0 steps with 1 atoms

126.6% 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   |            | 2.37e-06   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      32.0000 ave          32 max          32 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 32
Ave neighs/atom = 32.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.11924615713856 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.4306920 3.4306920 3.4306920
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.4306920 3.4306920 3.4306920)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.4306920 3.4306920 3.4306920)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     3.430692            0     3.430692            0     3.430692   -2.2812977   -60923.409   -60923.409   -60923.409   -60923.409   -60923.409            0            0            0 
Loop time of 2.444e-06 on 1 procs for 0 steps with 1 atoms

204.6% 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   |            | 2.444e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      32.0000 ave          32 max          32 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 32
Ave neighs/atom = 32.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.28129771922234 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.3362480 3.3362480 3.3362480
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.3362480 3.3362480 3.3362480)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.3362480 3.3362480 3.3362480)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     3.336248            0     3.336248            0     3.336248   -2.4068573   -62948.096   -62948.096   -62948.096   -62948.096   -62948.096            0            0            0 
Loop time of 2.218e-06 on 1 procs for 0 steps with 1 atoms

90.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.218e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      56.0000 ave          56 max          56 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 56
Ave neighs/atom = 56.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.406857298524 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.2584370 3.2584370 3.2584370
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.2584370 3.2584370 3.2584370)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.2584370 3.2584370 3.2584370)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     3.258437            0     3.258437            0     3.258437    -2.507251   -63624.837   -63624.837   -63624.837   -63624.837   -63624.837            0            0            0 
Loop time of 2.367e-06 on 1 procs for 0 steps with 1 atoms

84.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.367e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      56.0000 ave          56 max          56 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 56
Ave neighs/atom = 56.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.50725098043613 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.1922690 3.1922690 3.1922690
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1922690 3.1922690 3.1922690)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1922690 3.1922690 3.1922690)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     3.192269            0     3.192269            0     3.192269   -2.5893312   -63722.856   -63722.856   -63722.856   -63722.856   -63722.856            0            0 1.0679531e-13 
Loop time of 2e-06 on 1 procs for 0 steps with 1 atoms

100.0% 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   |            | 2e-06      |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      56.0000 ave          56 max          56 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 56
Ave neighs/atom = 56.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.58933122886062 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.1347080 3.1347080 3.1347080
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1347080 3.1347080 3.1347080)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1347080 3.1347080 3.1347080)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     3.134708            0     3.134708            0     3.134708   -2.6591121   -66888.439   -66888.439   -66888.439   -66888.439   -66888.439            0            0 3.6091865e-13 
Loop time of 2.199e-06 on 1 procs for 0 steps with 1 atoms

91.0% 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   |            | 2.199e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      56.0000 ave          56 max          56 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 56
Ave neighs/atom = 56.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.65911206901706 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.0837700 3.0837700 3.0837700
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0837700 3.0837700 3.0837700)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0837700 3.0837700 3.0837700)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0      3.08377            0      3.08377            0      3.08377   -2.7237509   -71592.261   -71592.261   -71592.261   -71592.261   -71592.261            0            0            0 
Loop time of 2.153e-06 on 1 procs for 0 steps with 1 atoms

92.9% 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   |            | 2.153e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      80.0000 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.7237509005476 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.0380880 3.0380880 3.0380880
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0380880 3.0380880 3.0380880)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0380880 3.0380880 3.0380880)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     3.038088            0     3.038088            0     3.038088   -2.7784859   -64259.369   -64259.369   -64259.369   -64259.369   -64259.369            0            0 -3.9646016e-13 
Loop time of 2.269e-06 on 1 procs for 0 steps with 1 atoms

88.1% 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   |            | 2.269e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      80.0000 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.77848586911119 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.9966780 2.9966780 2.9966780
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9966780 2.9966780 2.9966780)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9966780 2.9966780 2.9966780)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.996678            0     2.996678            0     2.996678   -2.8217479   -58698.484   -58698.484   -58698.484   -58698.484   -58698.484            0            0 -6.1968592e-13 
Loop time of 2.18e-06 on 1 procs for 0 steps with 1 atoms

91.7% 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   |            | 2.18e-06   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      80.0000 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.82174792961505 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.9588080 2.9588080 2.9588080
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9588080 2.9588080 2.9588080)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9588080 2.9588080 2.9588080)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.958808            0     2.958808            0     2.958808    -2.857412   -54753.098   -54753.098   -54753.098   -54753.098   -54753.098            0            0 2.1459532e-13 
Loop time of 2.415e-06 on 1 procs for 0 steps with 1 atoms

124.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.415e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      80.0000 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.85741201781214 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.9239210 2.9239210 2.9239210
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9239210 2.9239210 2.9239210)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9239210 2.9239210 2.9239210)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.923921            0     2.923921            0     2.923921   -2.8872902   -50878.045   -50878.045   -50878.045   -50878.045   -50878.045            0            0 -2.2236872e-13 
Loop time of 2.119e-06 on 1 procs for 0 steps with 1 atoms

94.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.119e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      80.0000 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.88729018308758 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.8915810 2.8915810 2.8915810
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8915810 2.8915810 2.8915810)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8915810 2.8915810 2.8915810)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.891581            0     2.891581            0     2.891581   -2.9123051   -46714.299   -46714.299   -46714.299   -46714.299   -46714.299            0            0 2.2991353e-13 
Loop time of 2.21e-06 on 1 procs for 0 steps with 1 atoms

181.0% 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   |            | 2.21e-06   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      80.0000 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.91230513584403 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.8614410 2.8614410 2.8614410
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8614410 2.8614410 2.8614410)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8614410 2.8614410 2.8614410)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.861441            0     2.861441            0     2.861441   -2.9330957   -42205.555   -42205.555   -42205.555   -42205.555   -42205.555            0            0 -2.3725546e-13 
Loop time of 2.202e-06 on 1 procs for 0 steps with 1 atoms

90.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.202e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      80.0000 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.93309570773733 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.8332210 2.8332210 2.8332210
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8332210 2.8332210 2.8332210)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8332210 2.8332210 2.8332210)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.833221            0     2.833221            0     2.833221   -2.9501645   -37358.679   -37358.679   -37358.679   -37358.679   -37358.679            0            0 -2.4441579e-13 
Loop time of 2.266e-06 on 1 procs for 0 steps with 1 atoms

88.3% 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   |            | 2.266e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      80.0000 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.95016448844206 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.8066910 2.8066910 2.8066910
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8066910 2.8066910 2.8066910)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8066910 2.8066910 2.8066910)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.806691            0     2.806691            0     2.806691   -2.9639256    -32192.47    -32192.47    -32192.47    -32192.47    -32192.47            0            0            0 
Loop time of 2.113e-06 on 1 procs for 0 steps with 1 atoms

94.7% 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   |            | 2.113e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      80.0000 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.96392563384249 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.7816590 2.7816590 2.7816590
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7816590 2.7816590 2.7816590)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7816590 2.7816590 2.7816590)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.781659            0     2.781659            0     2.781659    -2.974789   -26943.958   -26943.958   -26943.958   -26943.958   -26943.958            0            0 2.5826107e-13 
Loop time of 2.195e-06 on 1 procs for 0 steps with 1 atoms

136.7% 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   |            | 2.195e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      80.0000 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.97478903459788 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.7579660 2.7579660 2.7579660
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7579660 2.7579660 2.7579660)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7579660 2.7579660 2.7579660)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.757966            0     2.757966            0     2.757966   -2.9830707   -21707.095   -21707.095   -21707.095   -21707.095   -21707.095            0            0 5.2994876e-13 
Loop time of 2.32e-06 on 1 procs for 0 steps with 1 atoms

86.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.32e-06   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      80.0000 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.98307070079208 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.7354750 2.7354750 2.7354750
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7354750 2.7354750 2.7354750)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7354750 2.7354750 2.7354750)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.735475            0     2.735475            0     2.735475   -2.9892205   -17137.103   -17137.103   -17137.103   -17137.103   -17137.103            0            0            0 
Loop time of 1.986e-06 on 1 procs for 0 steps with 1 atoms

100.7% 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   |            | 1.986e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      80.0000 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.98922049249686 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.7140710 2.7140710 2.7140710
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7140710 2.7140710 2.7140710)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7140710 2.7140710 2.7140710)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.714071            0     2.714071            0     2.714071   -2.9938273   -14100.347   -14100.347   -14100.347   -14100.347   -14100.347            0            0            0 
Loop time of 2.216e-06 on 1 procs for 0 steps with 1 atoms

90.3% 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   |            | 2.216e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      80.0000 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.99382732779931 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.6936540 2.6936540 2.6936540
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6936540 2.6936540 2.6936540)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6936540 2.6936540 2.6936540)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.693654            0     2.693654            0     2.693654   -2.9975095   -12218.636   -12218.636   -12218.636   -12218.636   -12218.636            0            0 -5.6882042e-13 
Loop time of 2.382e-06 on 1 procs for 0 steps with 1 atoms

125.9% 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   |            | 2.382e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      80.0000 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.99750951805485 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.6741350 2.6741350 2.6741350
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6741350 2.6741350 2.6741350)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6741350 2.6741350 2.6741350)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.674135            0     2.674135            0     2.674135    -3.000286   -8150.2914   -8150.2914   -8150.2914   -8150.2914   -8150.2914            0            0 -5.8136733e-13 
Loop time of 2.313e-06 on 1 procs for 0 steps with 1 atoms

86.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.313e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      92.0000 ave          92 max          92 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 92
Ave neighs/atom = 92.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.00028596899857 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.6554400 2.6554400 2.6554400
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6554400 2.6554400 2.6554400)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6554400 2.6554400 2.6554400)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0      2.65544            0      2.65544            0      2.65544   -3.0013758     2.530919     2.530919     2.530919     2.530919     2.530919            0            0 5.9373292e-13 
Loop time of 2.073e-06 on 1 procs for 0 steps with 1 atoms

96.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.073e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      92.0000 ave          92 max          92 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 92
Ave neighs/atom = 92.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.00137579983058 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.6365400 2.6365400 2.6365400
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6365400 2.6365400 2.6365400)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6365400 2.6365400 2.6365400)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0      2.63654            0      2.63654            0      2.63654   -3.0001147    10289.085    10289.085    10289.085    10289.085    10289.085            0            0 6.0659316e-13 
Loop time of 2.043e-06 on 1 procs for 0 steps with 1 atoms

97.9% 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   |            | 2.043e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      92.0000 ave          92 max          92 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 92
Ave neighs/atom = 92.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.00011473481628 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.6170640 2.6170640 2.6170640
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6170640 2.6170640 2.6170640)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6170640 2.6170640 2.6170640)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.617064            0     2.617064            0     2.617064   -2.9962078    20683.881    20683.881    20683.881    20683.881    20683.881            0            0            0 
Loop time of 2.194e-06 on 1 procs for 0 steps with 1 atoms

91.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.194e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      92.0000 ave          92 max          92 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 92
Ave neighs/atom = 92.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.99620784983881 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.5969740 2.5969740 2.5969740
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5969740 2.5969740 2.5969740)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5969740 2.5969740 2.5969740)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.596974            0     2.596974            0     2.596974   -2.9896121      30887.7      30887.7      30887.7      30887.7      30887.7            0            0 -6.3474282e-13 
Loop time of 2.251e-06 on 1 procs for 0 steps with 1 atoms

88.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.251e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      92.0000 ave          92 max          92 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 92
Ave neighs/atom = 92.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.98961209144298 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.5762330 2.5762330 2.5762330
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5762330 2.5762330 2.5762330)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5762330 2.5762330 2.5762330)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.576233            0     2.576233            0     2.576233   -2.9802302    41391.904    41391.904    41391.904    41391.904    41391.904            0            0            0 
Loop time of 2.359e-06 on 1 procs for 0 steps with 1 atoms

84.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.359e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      92.0000 ave          92 max          92 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 92
Ave neighs/atom = 92.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.98023024984399 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.5547940 2.5547940 2.5547940
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5547940 2.5547940 2.5547940)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5547940 2.5547940 2.5547940)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.554794            0     2.554794            0     2.554794   -2.9678189    52688.232    52688.232    52688.232    52688.232    52688.232            0            0 -2.0001115e-12 
Loop time of 2.476e-06 on 1 procs for 0 steps with 1 atoms

80.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.476e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      92.0000 ave          92 max          92 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 92
Ave neighs/atom = 92.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.96781893189091 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.5326110 2.5326110 2.5326110
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5326110 2.5326110 2.5326110)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5326110 2.5326110 2.5326110)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.532611            0     2.532611            0     2.532611   -2.9520101    65135.297    65135.297    65135.297    65135.297    65135.297            0            0 -6.8437658e-13 
Loop time of 2.018e-06 on 1 procs for 0 steps with 1 atoms

99.1% 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   |            | 2.018e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      122.000 ave         122 max         122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 122
Ave neighs/atom = 122.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.95201006871368 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.5096290 2.5096290 2.5096290
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5096290 2.5096290 2.5096290)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5096290 2.5096290 2.5096290)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.509629            0     2.509629            0     2.509629   -2.9323255    79020.681    79020.681    79020.681    79020.681    79020.681            0            0 -2.1100526e-12 
Loop time of 2.072e-06 on 1 procs for 0 steps with 1 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.072e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      122.000 ave         122 max         122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 122
Ave neighs/atom = 122.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.93232554152109 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.4857890 2.4857890 2.4857890
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4857890 2.4857890 2.4857890)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4857890 2.4857890 2.4857890)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.485789            0     2.485789            0     2.485789   -2.9084625    93237.125    93237.125    93237.125    93237.125    93237.125            0            0 1.4475641e-12 
Loop time of 2.197e-06 on 1 procs for 0 steps with 1 atoms

91.0% 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   |            | 2.197e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      122.000 ave         122 max         122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 122
Ave neighs/atom = 122.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.90846248861906 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.4610240 2.4610240 2.4610240
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4610240 2.4610240 2.4610240)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4610240 2.4610240 2.4610240)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.461024            0     2.461024            0     2.461024    -2.880027    106586.72    106586.72    106586.72    106586.72    106586.72            0            0 -1.4917054e-12 
Loop time of 2.221e-06 on 1 procs for 0 steps with 1 atoms

90.0% 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   |            | 2.221e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      122.000 ave         122 max         122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 122
Ave neighs/atom = 122.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.88002695905614 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.4352600 2.4352600 2.4352600
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4352600 2.4352600 2.4352600)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4352600 2.4352600 2.4352600)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0      2.43526            0      2.43526            0      2.43526   -2.8482293    110633.01    110633.01    110633.01    110633.01    110633.01            0            0            0 
Loop time of 2.423e-06 on 1 procs for 0 steps with 1 atoms

123.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.423e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      122.000 ave         122 max         122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 122
Ave neighs/atom = 122.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.84822928649545 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.4084120 2.4084120 2.4084120
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4084120 2.4084120 2.4084120)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4084120 2.4084120 2.4084120)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.408412            0     2.408412            0     2.408412   -2.8173781    97030.232    97030.232    97030.232    97030.232    97030.232            0            0 4.7748475e-12 
Loop time of 2.271e-06 on 1 procs for 0 steps with 1 atoms

176.1% 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   |            | 2.271e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      122.000 ave         122 max         122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 122
Ave neighs/atom = 122.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.81737808825979 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.3803860 2.3803860 2.3803860
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3803860 2.3803860 2.3803860)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3803860 2.3803860 2.3803860)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.380386            0     2.380386            0     2.380386   -2.7875704    111483.89    111483.89    111483.89    111483.89    111483.89            0            0            0 
Loop time of 2.49e-06 on 1 procs for 0 steps with 1 atoms

80.3% 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   |            | 2.49e-06   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      146.000 ave         146 max         146 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 146
Ave neighs/atom = 146.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.78757044286198 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.3510730 2.3510730 2.3510730
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3510730 2.3510730 2.3510730)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3510730 2.3510730 2.3510730)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.351073            0     2.351073            0     2.351073    -2.745078     165898.2     165898.2     165898.2     165898.2     165898.2            0            0            0 
Loop time of 2.218e-06 on 1 procs for 0 steps with 1 atoms

90.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.218e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      146.000 ave         146 max         146 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 146
Ave neighs/atom = 146.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.74507797812224 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.3203480 2.3203480 2.3203480
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3203480 2.3203480 2.3203480)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3203480 2.3203480 2.3203480)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.320348            0     2.320348            0     2.320348   -2.6854926    211528.52    211528.52    211528.52    211528.52    211528.52            0            0            0 
Loop time of 2.054e-06 on 1 procs for 0 steps with 1 atoms

97.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.054e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      146.000 ave         146 max         146 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 146
Ave neighs/atom = 146.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.68549260231374 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.2880710 2.2880710 2.2880710
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2880710 2.2880710 2.2880710)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2880710 2.2880710 2.2880710)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.288071            0     2.288071            0     2.288071   -2.6112785    250742.05    250742.05    250742.05    250742.05    250742.05            0            0            0 
Loop time of 2.465e-06 on 1 procs for 0 steps with 1 atoms

81.1% 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   |            | 2.465e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      170.000 ave         170 max         170 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 170
Ave neighs/atom = 170.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.61127852186949 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.2540740 2.2540740 2.2540740
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2540740 2.2540740 2.2540740)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2540740 2.2540740 2.2540740)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.254074            0     2.254074            0     2.254074   -2.5229707    287456.34    287456.34    287456.34    287456.34    287456.34            0            0 -3.0941851e-12 
Loop time of 2.085e-06 on 1 procs for 0 steps with 1 atoms

95.9% 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   |            | 2.085e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      170.000 ave         170 max         170 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 170
Ave neighs/atom = 170.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.52297072464039 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.2181650 2.2181650 2.2181650
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2181650 2.2181650 2.2181650)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2181650 2.2181650 2.2181650)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.218165            0     2.218165            0     2.218165   -2.4223956    302594.26    302594.26    302594.26    302594.26    302594.26            0            0 -1.0186361e-12 
Loop time of 2.488e-06 on 1 procs for 0 steps with 1 atoms

80.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.488e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      170.000 ave         170 max         170 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 170
Ave neighs/atom = 170.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.42239558385875 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.1801160 2.1801160 2.1801160
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1801160 2.1801160 2.1801160)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1801160 2.1801160 2.1801160)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.180116            0     2.180116            0     2.180116   -2.3213625     297316.1     297316.1     297316.1     297316.1     297316.1            0            0            0 
Loop time of 2.111e-06 on 1 procs for 0 steps with 1 atoms

94.7% 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   |            | 2.111e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      178.000 ave         178 max         178 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 178
Ave neighs/atom = 178.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.32136246715886 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.1396550 2.1396550 2.1396550
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1396550 2.1396550 2.1396550)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1396550 2.1396550 2.1396550)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.139655            0     2.139655            0     2.139655   -2.1979566    405247.24    405247.24    405247.24    405247.24    405247.24            0            0 -5.1071882e-12 
Loop time of 2.139e-06 on 1 procs for 0 steps with 1 atoms

93.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.139e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      178.000 ave         178 max         178 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 178
Ave neighs/atom = 178.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.19795659200282 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.0964550 2.0964550 2.0964550
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0964550 2.0964550 2.0964550)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0964550 2.0964550 2.0964550)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.096455            0     2.096455            0     2.096455   -2.0344061    491857.96    491857.96    491857.96    491857.96    491857.96            0            0 2.4130925e-12 
Loop time of 2.254e-06 on 1 procs for 0 steps with 1 atoms

88.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.254e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      202.000 ave         202 max         202 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 202
Ave neighs/atom = 202.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.03440606736541 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.0501180 2.0501180 2.0501180
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0501180 2.0501180 2.0501180)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0501180 2.0501180 2.0501180)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.050118            0     2.050118            0     2.050118   -1.8358454     573840.1     573840.1     573840.1     573840.1     573840.1            0            0 5.8059935e-12 
Loop time of 2.186e-06 on 1 procs for 0 steps with 1 atoms

91.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.186e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      202.000 ave         202 max         202 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 202
Ave neighs/atom = 202.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.83584541224294 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.0001540 2.0001540 2.0001540
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0001540 2.0001540 2.0001540)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0001540 2.0001540 2.0001540)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.000154            0     2.000154            0     2.000154   -1.5980674    667430.75    667430.75    667430.75    667430.75    667430.75            0            0 -2.7786913e-12 
Loop time of 2.438e-06 on 1 procs for 0 steps with 1 atoms

205.1% 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   |            | 2.438e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      250.000 ave         250 max         250 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 250
Ave neighs/atom = 250.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.59806743019015 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.9459460 1.9459460 1.9459460
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9459460 1.9459460 1.9459460)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9459460 1.9459460 1.9459460)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     1.945946            0     1.945946            0     1.945946   -1.3138629    770101.12    770101.12    770101.12    770101.12    770101.12            0            0 6.0348745e-12 
Loop time of 2.395e-06 on 1 procs for 0 steps with 1 atoms

83.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.395e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      250.000 ave         250 max         250 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 250
Ave neighs/atom = 250.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.31386286195177 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.8867050 1.8867050 1.8867050
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8867050 1.8867050 1.8867050)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8867050 1.8867050 1.8867050)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.194 | 5.194 | 5.194 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     1.886705            0     1.886705            0     1.886705  -0.98951808    820968.14    820968.14    820968.14    820968.14    820968.14            0            0 6.6213813e-12 
Loop time of 2.57e-06 on 1 procs for 0 steps with 1 atoms

77.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.57e-06   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      256.000 ave         256 max         256 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 256
Ave neighs/atom = 256.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.989518084583456 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.8214000 1.8214000 1.8214000
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8214000 1.8214000 1.8214000)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8214000 1.8214000 1.8214000)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.194 | 5.194 | 5.194 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0       1.8214            0       1.8214            0       1.8214  -0.60842261    951217.02    951217.02    951217.02    951217.02    951217.02            0            0 -6.4395075e-12 
Loop time of 2.242e-06 on 1 procs for 0 steps with 1 atoms

89.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.242e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      304.000 ave         304 max         304 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 304
Ave neighs/atom = 304.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.608422606373569 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.7486470 1.7486470 1.7486470
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7486470 1.7486470 1.7486470)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7486470 1.7486470 1.7486470)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.194 | 5.194 | 5.194 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     1.748647            0     1.748647            0     1.748647  -0.22382811    960421.07    960421.07    960421.07    960421.07    960421.07            0            0 1.247514e-11 
Loop time of 2.352e-06 on 1 procs for 0 steps with 1 atoms

85.0% 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   |            | 2.352e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      340.000 ave         340 max         340 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 340
Ave neighs/atom = 340.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.223828109390606 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.6665250 1.6665250 1.6665250
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6665250 1.6665250 1.6665250)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6665250 1.6665250 1.6665250)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.194 | 5.194 | 5.194 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     1.666525            0     1.666525            0     1.666525   0.17298065    827105.01    827105.01    827105.01    827105.01    827105.01            0            0 1.5012227e-13 
Loop time of 2.183e-06 on 1 procs for 0 steps with 1 atoms

91.6% 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   |            | 2.183e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      388.000 ave         388 max         388 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 388
Ave neighs/atom = 388.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.172980649734197 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.5722600 1.5722600 1.5722600
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5722600 1.5722600 1.5722600)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5722600 1.5722600 1.5722600)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.194 | 5.194 | 5.194 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0      1.57226            0      1.57226            0      1.57226   0.44317597    325927.71    325927.71    325927.71    325927.71    325927.71            0            0 1.2871822e-11 
Loop time of 2.148e-06 on 1 procs for 0 steps with 1 atoms

93.1% 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   |            | 2.148e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      460.000 ave         460 max         460 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460
Ave neighs/atom = 460.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.443175966314635 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.4616260 1.4616260 1.4616260
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.4616260 1.4616260 1.4616260)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.4616260 1.4616260 1.4616260)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.247 | 5.247 | 5.247 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     1.461626            0     1.461626            0     1.461626   0.20391076   -1744298.7   -1744298.7   -1744298.7   -1744298.7   -1744298.7            0            0 4.0053857e-11 
Loop time of 2.333e-06 on 1 procs for 0 steps with 1 atoms

85.7% 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   |            | 2.333e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1727.00 ave        1727 max        1727 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      618.000 ave         618 max         618 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 618
Ave neighs/atom = 618.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.203910761343343 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.3277200 1.3277200 1.3277200
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.3277200 1.3277200 1.3277200)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.3277200 1.3277200 1.3277200)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.6000971
  ghost atom cutoff = 7.6000971
  binsize = 3.8000485, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.600097095572612
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.247 | 5.247 | 5.247 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0      1.32772            0      1.32772            0      1.32772   -2.0012232   -8622984.8   -8622984.8   -8622984.8   -8622984.8   -8622984.8            0            0 1.2943378e-10 
Loop time of 2.207e-06 on 1 procs for 0 steps with 1 atoms

90.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.207e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1727.00 ave        1727 max        1727 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      750.000 ave         750 max         750 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 750
Ave neighs/atom = 750.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.00122323584704 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task
Total wall time: 0:00:06