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 = 8.2663800 8.2663800 8.2663800
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (8.2663800 8.2663800 8.2663800)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (8.2663800 8.2663800 8.2663800)
  create_atoms CPU = 0.001 seconds

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


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

Your simulation uses code contributions which should be cited:
- OpenKIM: https://doi.org/10.1007/s11837-011-0102-6
- OpenKIM potential: https://openkim.org/cite/MO_036303866285_000#item-citation
The log file lists these citations in BibTeX format.

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 3 3 3
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.185 | 5.185 | 5.185 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0      8.26638            0      8.26638            0      8.26638   -4.0085421   -22037.529   -22037.529   -22037.529   -22037.529   -22037.529 5.5107732e-12 5.4320479e-12 5.5107732e-12 
Loop time of 1.3923e-05 on 1 procs for 0 steps with 8 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   |            | 1.392e-05  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        162.000 ave         162 max         162 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224.000 ave         224 max         224 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224
Ave neighs/atom = 28.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.501067764848074 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 7.7125020 7.7125020 7.7125020
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (7.7125020 7.7125020 7.7125020)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (7.7125020 7.7125020 7.7125020)
  create_atoms CPU = 0.001 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 3 3 3
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.185 | 5.185 | 5.185 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     7.712502            0     7.712502            0     7.712502   -5.8515088   -34644.041   -34644.041   -34644.041   -34644.041   -34644.041 -1.550939e-12 -7.3669601e-12 -8.5301644e-12 
Loop time of 1.2198e-05 on 1 procs for 0 steps with 8 atoms

131.2% 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   |            | 1.22e-05   |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        162.000 ave         162 max         162 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224.000 ave         224 max         224 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224
Ave neighs/atom = 28.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.731438601964521 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 7.3692310 7.3692310 7.3692310
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (7.3692310 7.3692310 7.3692310)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (7.3692310 7.3692310 7.3692310)
  create_atoms CPU = 0.001 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     7.369231            0     7.369231            0     7.369231   -7.3096836   -46738.398   -46738.398   -46738.398   -46738.398   -46738.398 1.5556866e-12 5.5560237e-12 3.5558552e-12 
Loop time of 1.0424e-05 on 1 procs for 0 steps with 8 atoms

268.6% 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   |            | 1.042e-05  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        272.000 ave         272 max         272 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      272.000 ave         272 max         272 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 272
Ave neighs/atom = 34.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.91371045105214 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 7.1198260 7.1198260 7.1198260
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (7.1198260 7.1198260 7.1198260)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (7.1198260 7.1198260 7.1198260)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     7.119826            0     7.119826            0     7.119826   -8.7014666   -71006.709   -71006.709   -71006.709   -71006.709   -71006.709            0 -1.7249658e-12 -4.1892027e-12 
Loop time of 1.1116e-05 on 1 procs for 0 steps with 8 atoms

467.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.112e-05  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        272.000 ave         272 max         272 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      272.000 ave         272 max         272 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 272
Ave neighs/atom = 34.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.0876833280084 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 6.9238230 6.9238230 6.9238230
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (6.9238230 6.9238230 6.9238230)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (6.9238230 6.9238230 6.9238230)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     6.923823            0     6.923823            0     6.923823   -10.232346   -95892.012   -95892.012   -95892.012   -95892.012   -95892.012 -7.7705314e-12 2.9474429e-12 2.6794936e-12 
Loop time of 1.1908e-05 on 1 procs for 0 steps with 8 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.191e-05  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        272.000 ave         272 max         272 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      368.000 ave         368 max         368 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 368
Ave neighs/atom = 46.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.27904329642734 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 6.7623400 6.7623400 6.7623400
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (6.7623400 6.7623400 6.7623400)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (6.7623400 6.7623400 6.7623400)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0      6.76234            0      6.76234            0      6.76234   -11.599146   -92962.108   -92962.108   -92962.108   -92962.108   -92962.108 4.7662289e-11 4.7662289e-11 4.1047326e-11 
Loop time of 9.963e-06 on 1 procs for 0 steps with 8 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 9.963e-06  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        272.000 ave         272 max         272 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      368.000 ave         368 max         368 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 368
Ave neighs/atom = 46.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.44989321399025 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 6.6250180 6.6250180 6.6250180
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (6.6250180 6.6250180 6.6250180)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (6.6250180 6.6250180 6.6250180)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     6.625018            0     6.625018            0     6.625018   -12.603573   -82147.541   -82147.541   -82147.541   -82147.541   -82147.541 5.1420708e-12 -5.8690596e-12 -3.116277e-12 
Loop time of 1.1165e-05 on 1 procs for 0 steps with 8 atoms

250.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.117e-05  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        272.000 ave         272 max         272 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      368.000 ave         368 max         368 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 368
Ave neighs/atom = 46.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.575446610597 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 6.5055590 6.5055590 6.5055590
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (6.5055590 6.5055590 6.5055590)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (6.5055590 6.5055590 6.5055590)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     6.505559            0     6.505559            0     6.505559   -13.383008   -81067.965   -81067.965   -81067.965   -81067.965   -81067.965 1.4431651e-11 1.507778e-11 1.7661984e-11 
Loop time of 9.051e-06 on 1 procs for 0 steps with 8 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 9.051e-06  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        272.000 ave         272 max         272 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      368.000 ave         368 max         368 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 368
Ave neighs/atom = 46.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.67287601507685 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 6.3998470 6.3998470 6.3998470
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (6.3998470 6.3998470 6.3998470)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (6.3998470 6.3998470 6.3998470)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     6.399847            0     6.399847            0     6.399847   -14.067251   -85363.699   -85363.699   -85363.699   -85363.699   -85363.699 -1.3720048e-11 -8.2909421e-12 -8.2909421e-12 
Loop time of 1.1256e-05 on 1 procs for 0 steps with 8 atoms

239.9% 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   |            | 1.126e-05  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        272.000 ave         272 max         272 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      368.000 ave         368 max         368 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 368
Ave neighs/atom = 46.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.75840637904934 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 6.3050420 6.3050420 6.3050420
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (6.3050420 6.3050420 6.3050420)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (6.3050420 6.3050420 6.3050420)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     6.305042            0     6.305042            0     6.305042   -14.694554    -89728.86    -89728.86    -89728.86    -89728.86    -89728.86 1.9141693e-12 -1.014884e-11 -1.0151612e-11 
Loop time of 8.931e-06 on 1 procs for 0 steps with 8 atoms

246.3% 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   |            | 8.931e-06  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        272.000 ave         272 max         272 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      368.000 ave         368 max         368 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 368
Ave neighs/atom = 46.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.83681923891724 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 6.2191020 6.2191020 6.2191020
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (6.2191020 6.2191020 6.2191020)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (6.2191020 6.2191020 6.2191020)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.084 | 5.084 | 5.084 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     6.219102            0     6.219102            0     6.219102   -15.272541   -93501.592   -93501.592   -93501.592   -93501.592   -93501.592 -7.4874266e-12 -4.1596815e-12 -6.3724009e-12 
Loop time of 1.0274e-05 on 1 procs for 0 steps with 8 atoms

184.9% 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   |            | 1.027e-05  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        272.000 ave         272 max         272 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      560.000 ave         560 max         560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 560
Ave neighs/atom = 70.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.90906768543388 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 6.1405100 6.1405100 6.1405100
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (6.1405100 6.1405100 6.1405100)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (6.1405100 6.1405100 6.1405100)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.085 | 5.085 | 5.085 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0      6.14051            0      6.14051            0      6.14051   -15.808583   -97373.508   -97373.508   -97373.508   -97373.508   -97373.508 -6.9263287e-12 -7.8866516e-12 -1.0971689e-11 
Loop time of 1.0184e-05 on 1 procs for 0 steps with 8 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.018e-05  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        420.000 ave         420 max         420 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      560.000 ave         560 max         560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 560
Ave neighs/atom = 70.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.97607293736805 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 6.0681080 6.0681080 6.0681080
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (6.0681080 6.0681080 6.0681080)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (6.0681080 6.0681080 6.0681080)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.085 | 5.085 | 5.085 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     6.068108            0     6.068108            0     6.068108   -16.310327   -101280.54   -101280.54   -101280.54   -101280.54   -101280.54 -4.4842104e-12 -3.0848382e-12 -1.2438864e-13 
Loop time of 9.893e-06 on 1 procs for 0 steps with 8 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 9.893e-06  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        420.000 ave         420 max         420 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      560.000 ave         560 max         560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 560
Ave neighs/atom = 70.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.03879086449501 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 6.0009910 6.0009910 6.0009910
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (6.0009910 6.0009910 6.0009910)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (6.0009910 6.0009910 6.0009910)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.085 | 5.085 | 5.085 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     6.000991            0     6.000991            0     6.000991   -16.781124   -104245.92   -104245.92   -104245.92   -104245.92   -104245.92 -1.9201338e-11 -2.1040448e-11 -2.1709215e-11 
Loop time of 9.401e-06 on 1 procs for 0 steps with 8 atoms

180.8% 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   |            | 9.401e-06  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        420.000 ave         420 max         420 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      560.000 ave         560 max         560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 560
Ave neighs/atom = 70.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.09764050449359 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 5.9384410 5.9384410 5.9384410
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.9384410 5.9384410 5.9384410)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.9384410 5.9384410 5.9384410)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.085 | 5.085 | 5.085 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     5.938441            0     5.938441            0     5.938441   -17.218772   -105007.54   -105007.54   -105007.54   -105007.54   -105007.54 1.3722834e-11 2.4950608e-11 2.0756782e-11 
Loop time of 8.73e-06 on 1 procs for 0 steps with 8 atoms

240.5% 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   |            | 8.73e-06   |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        420.000 ave         420 max         420 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      560.000 ave         560 max         560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 560
Ave neighs/atom = 70.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.15234648785772 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 5.8798740 5.8798740 5.8798740
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.8798740 5.8798740 5.8798740)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.8798740 5.8798740 5.8798740)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.085 | 5.085 | 5.085 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     5.879874            0     5.879874            0     5.879874   -17.617495   -102642.61   -102642.61   -102642.61   -102642.61   -102642.61 2.2176214e-11 1.7828473e-11 1.0117385e-11 
Loop time of 1.0695e-05 on 1 procs for 0 steps with 8 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.07e-05   |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        420.000 ave         420 max         420 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688.000 ave         688 max         688 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.20218687789825 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 5.8248150 5.8248150 5.8248150
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.8248150 5.8248150 5.8248150)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.8248150 5.8248150 5.8248150)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.085 | 5.085 | 5.085 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     5.824815            0     5.824815            0     5.824815   -17.970835   -96852.625   -96852.625   -96852.625   -96852.625   -96852.625 7.6505579e-12 1.0125738e-11 1.7438772e-11 
Loop time of 6.536e-06 on 1 procs for 0 steps with 8 atoms

198.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.536e-06  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        420.000 ave         420 max         420 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688.000 ave         688 max         688 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.24635435118731 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 5.7728660 5.7728660 5.7728660
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.7728660 5.7728660 5.7728660)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.7728660 5.7728660 5.7728660)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.085 | 5.085 | 5.085 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     5.772866            0     5.772866            0     5.772866   -18.273973   -87906.786   -87906.786   -87906.786   -87906.786   -87906.786 5.710748e-11 1.4851123e-11 2.2247791e-11 
Loop time of 8.57e-06 on 1 procs for 0 steps with 8 atoms

210.0% 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   |            | 8.57e-06   |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        420.000 ave         420 max         420 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688.000 ave         688 max         688 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.28424664973749 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 5.7236950 5.7236950 5.7236950
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.7236950 5.7236950 5.7236950)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.7236950 5.7236950 5.7236950)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.085 | 5.085 | 5.085 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     5.723695            0     5.723695            0     5.723695    -18.52468   -76404.992   -76404.992   -76404.992   -76404.992   -76404.992 -6.4728323e-11 -5.4308352e-11 -5.270756e-11 
Loop time of 6.245e-06 on 1 procs for 0 steps with 8 atoms

144.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.245e-06  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        420.000 ave         420 max         420 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688.000 ave         688 max         688 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.31558504662897 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 5.6770200 5.6770200 5.6770200
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.6770200 5.6770200 5.6770200)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.6770200 5.6770200 5.6770200)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.085 | 5.085 | 5.085 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0      5.67702            0      5.67702            0      5.67702   -18.723247   -63027.316   -63027.316   -63027.316   -63027.316   -63027.316 -6.3816359e-11 -6.8054579e-12 -1.0086661e-11 
Loop time of 6.635e-06 on 1 procs for 0 steps with 8 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.635e-06  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        420.000 ave         420 max         420 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688.000 ave         688 max         688 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.34040593154154 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 5.6326000 5.6326000 5.6326000
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.6326000 5.6326000 5.6326000)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.6326000 5.6326000 5.6326000)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.085 | 5.085 | 5.085 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0       5.6326            0       5.6326            0       5.6326   -18.871815   -48360.479   -48360.479   -48360.479   -48360.479   -48360.479 -4.9925097e-12 1.493087e-12 2.2396305e-12 
Loop time of 6.816e-06 on 1 procs for 0 steps with 8 atoms

190.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.816e-06  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        420.000 ave         420 max         420 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688.000 ave         688 max         688 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.35897683303225 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 5.5902260 5.5902260 5.5902260
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.5902260 5.5902260 5.5902260)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.5902260 5.5902260 5.5902260)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.085 | 5.085 | 5.085 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     5.590226            0     5.590226            0     5.590226   -18.973577   -32823.909   -32823.909   -32823.909   -32823.909   -32823.909 1.2165882e-10 1.0843815e-10 1.1505644e-10 
Loop time of 7.117e-06 on 1 procs for 0 steps with 8 atoms

210.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.117e-06  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        420.000 ave         420 max         420 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688.000 ave         688 max         688 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.37169707730739 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 5.5497180 5.5497180 5.5497180
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.5497180 5.5497180 5.5497180)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.5497180 5.5497180 5.5497180)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.085 | 5.085 | 5.085 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     5.549718            0     5.549718            0     5.549718   -19.032099    -16666.13    -16666.13    -16666.13    -16666.13    -16666.13 -1.7346461e-10 -1.8855414e-10 -1.8439151e-10 
Loop time of 6.715e-06 on 1 procs for 0 steps with 8 atoms

134.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.715e-06  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        420.000 ave         420 max         420 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688.000 ave         688 max         688 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.37901233592132 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 5.5109200 5.5109200 5.5109200
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.5109200 5.5109200 5.5109200)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.5109200 5.5109200 5.5109200)
  create_atoms CPU = 0.001 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.085 | 5.085 | 5.085 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0      5.51092            0      5.51092            0      5.51092   -19.050879   -2.1136269   -2.1136269   -2.1136269   -2.1136269   -2.1136269 -1.8466011e-11 -3.1219514e-11 -2.2783603e-11 
Loop time of 7.257e-06 on 1 procs for 0 steps with 8 atoms

151.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.257e-06  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        420.000 ave         420 max         420 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688.000 ave         688 max         688 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.38135983549062 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 5.4845070 5.4845070 5.4845070
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.4845070 5.4845070 5.4845070)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.4845070 5.4845070 5.4845070)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.085 | 5.085 | 5.085 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     5.484507            0     5.484507            0     5.484507   -19.041969    12039.397    12039.397    12039.397    12039.397    12039.397 -1.9778617e-11 8.9694513e-11 8.4775129e-11 
Loop time of 6.334e-06 on 1 procs for 0 steps with 8 atoms

126.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.334e-06  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        420.000 ave         420 max         420 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688.000 ave         688 max         688 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.38024614498341 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 5.4567080 5.4567080 5.4567080
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.4567080 5.4567080 5.4567080)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.4567080 5.4567080 5.4567080)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.085 | 5.085 | 5.085 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     5.456708            0     5.456708            0     5.456708   -19.012941    25368.057    25368.057    25368.057    25368.057    25368.057 -5.875911e-11 -7.8482328e-11 -8.72406e-11 
Loop time of 9.602e-06 on 1 procs for 0 steps with 8 atoms

187.5% 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   |            | 9.602e-06  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        420.000 ave         420 max         420 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688.000 ave         688 max         688 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.37661756515663 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 5.4273710 5.4273710 5.4273710
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.4273710 5.4273710 5.4273710)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.4273710 5.4273710 5.4273710)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.085 | 5.085 | 5.085 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     5.427371            0     5.427371            0     5.427371   -18.959724    40221.683    40221.683    40221.683    40221.683    40221.683 9.6399245e-11 1.0973346e-10 1.0138871e-10 
Loop time of 6.526e-06 on 1 procs for 0 steps with 8 atoms

122.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.526e-06  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        420.000 ave         420 max         420 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      784.000 ave         784 max         784 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 784
Ave neighs/atom = 98.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.36996547563521 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 5.3963140 5.3963140 5.3963140
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.3963140 5.3963140 5.3963140)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.3963140 5.3963140 5.3963140)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.085 | 5.085 | 5.085 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     5.396314            0     5.396314            0     5.396314   -18.877185    56905.063    56905.063    56905.063    56905.063    56905.063 -7.8706208e-12 2.334656e-12 3.9618406e-12 
Loop time of 7.087e-06 on 1 procs for 0 steps with 8 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.087e-06  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        420.000 ave         420 max         420 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      784.000 ave         784 max         784 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 784
Ave neighs/atom = 98.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.35964809331252 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 5.3633230 5.3633230 5.3633230
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.3633230 5.3633230 5.3633230)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.3633230 5.3633230 5.3633230)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.085 | 5.085 | 5.085 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     5.363323            0     5.363323            0     5.363323   -18.758772    75803.935    75803.935    75803.935    75803.935    75803.935 4.9235504e-11 4.6551241e-11 4.1939353e-11 
Loop time of 6.375e-06 on 1 procs for 0 steps with 8 atoms

172.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.375e-06  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        420.000 ave         420 max         420 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      784.000 ave         784 max         784 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 784
Ave neighs/atom = 98.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.34484648782315 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 5.3281420 5.3281420 5.3281420
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.3281420 5.3281420 5.3281420)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.3281420 5.3281420 5.3281420)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.085 | 5.085 | 5.085 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     5.328142            0     5.328142            0     5.328142   -18.596027    97403.673    97403.673    97403.673    97403.673    97403.673 -2.8204709e-11 -7.0557708e-12 -1.8815389e-11 
Loop time of 6.786e-06 on 1 procs for 0 steps with 8 atoms

132.6% CPU use with 1 MPI tasks x 1 OpenMP threads

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

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        420.000 ave         420 max         420 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      784.000 ave         784 max         784 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 784
Ave neighs/atom = 98.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.32450338687272 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 5.2904590 5.2904590 5.2904590
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.2904590 5.2904590 5.2904590)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.2904590 5.2904590 5.2904590)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.085 | 5.085 | 5.085 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     5.290459            0     5.290459            0     5.290459   -18.377893     122311.2     122311.2     122311.2     122311.2     122311.2 -2.1360077e-11 -9.3849196e-12 -8.1085706e-12 
Loop time of 6.886e-06 on 1 procs for 0 steps with 8 atoms

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

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

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        420.000 ave         420 max         420 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      784.000 ave         784 max         784 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 784
Ave neighs/atom = 98.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.29723661476151 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 5.2498890 5.2498890 5.2498890
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.2498890 5.2498890 5.2498890)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.2498890 5.2498890 5.2498890)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.085 | 5.085 | 5.085 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     5.249889            0     5.249889            0     5.249889   -18.089738    151285.35    151285.35    151285.35    151285.35    151285.35 -8.0636688e-11 -2.4048865e-11 -2.773687e-11 
Loop time of 6.736e-06 on 1 procs for 0 steps with 8 atoms

133.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.736e-06  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        420.000 ave         420 max         420 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      784.000 ave         784 max         784 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 784
Ave neighs/atom = 98.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.26121731179573 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 5.2059560 5.2059560 5.2059560
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.2059560 5.2059560 5.2059560)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.2059560 5.2059560 5.2059560)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.085 | 5.085 | 5.085 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     5.205956            0     5.205956            0     5.205956   -17.712011    185272.52    185272.52    185272.52    185272.52    185272.52 1.1462715e-10 1.297755e-10 1.2843599e-10 
Loop time of 6.745e-06 on 1 procs for 0 steps with 8 atoms

192.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.745e-06  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        420.000 ave         420 max         420 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      976.000 ave         976 max         976 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 976
Ave neighs/atom = 122.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.21400141204155 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 5.1580490 5.1580490 5.1580490
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.1580490 5.1580490 5.1580490)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.1580490 5.1580490 5.1580490)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.085 | 5.085 | 5.085 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     5.158049            0     5.158049            0     5.158049   -17.218096    225488.85    225488.85    225488.85    225488.85    225488.85 -4.8849658e-11 5.5897618e-12 -2.025276e-11 
Loop time of 9.191e-06 on 1 procs for 0 steps with 8 atoms

108.8% 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   |            | 9.191e-06  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        420.000 ave         420 max         420 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      976.000 ave         976 max         976 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 976
Ave neighs/atom = 122.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.1522619598315 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 5.1053780 5.1053780 5.1053780
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.1053780 5.1053780 5.1053780)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.1053780 5.1053780 5.1053780)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.086 | 5.086 | 5.086 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     5.105378            0     5.105378            0     5.105378   -16.571124    273559.66    273559.66    273559.66    273559.66    273559.66 -1.1825698e-10 -6.6835451e-13 -1.2030381e-11 
Loop time of 6.515e-06 on 1 procs for 0 steps with 8 atoms

199.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.515e-06  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        612.000 ave         612 max         612 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      976.000 ave         976 max         976 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 976
Ave neighs/atom = 122.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.07139046588926 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 5.0468900 5.0468900 5.0468900
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.0468900 5.0468900 5.0468900)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.0468900 5.0468900 5.0468900)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.086 | 5.086 | 5.086 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0      5.04689            0      5.04689            0      5.04689   -15.718451    331876.45    331876.45    331876.45    331876.45    331876.45 1.2570256e-10 1.0914113e-10 1.4079379e-10 
Loop time of 7.107e-06 on 1 procs for 0 steps with 8 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.107e-06  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        612.000 ave         612 max         612 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      976.000 ave         976 max         976 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 976
Ave neighs/atom = 122.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.96480636156254 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 4.9811370 4.9811370 4.9811370
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (4.9811370 4.9811370 4.9811370)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (4.9811370 4.9811370 4.9811370)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.086 | 5.086 | 5.086 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     4.981137            0     4.981137            0     4.981137    -14.58161    404286.67    404286.67    404286.67    404286.67    404286.67 4.6910435e-11 4.3986966e-11 -1.7810673e-11 
Loop time of 6.545e-06 on 1 procs for 0 steps with 8 atoms

122.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.545e-06  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        612.000 ave         612 max         612 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      976.000 ave         976 max         976 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 976
Ave neighs/atom = 122.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.82270120784386 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 4.9060570 4.9060570 4.9060570
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (4.9060570 4.9060570 4.9060570)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (4.9060570 4.9060570 4.9060570)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.086 | 5.086 | 5.086 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     4.906057            0     4.906057            0     4.906057   -13.037129    497142.62    497142.62    497142.62    497142.62    497142.62 3.2471027e-10 1.0478473e-10 7.5411113e-11 
Loop time of 7.137e-06 on 1 procs for 0 steps with 8 atoms

140.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.137e-06  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        612.000 ave         612 max         612 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      976.000 ave         976 max         976 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 976
Ave neighs/atom = 122.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.62964114774006 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 4.8185590 4.8185590 4.8185590
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (4.8185590 4.8185590 4.8185590)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (4.8185590 4.8185590 4.8185590)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.086 | 5.086 | 5.086 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     4.818559            0     4.818559            0     4.818559   -10.878329    622689.06    622689.06    622689.06    622689.06    622689.06 3.0998027e-10 3.6090666e-10 3.5355339e-10 
Loop time of 6.956e-06 on 1 procs for 0 steps with 8 atoms

100.6% CPU use with 1 MPI tasks x 1 OpenMP threads

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

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        612.000 ave         612 max         612 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1168.00 ave        1168 max        1168 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1168
Ave neighs/atom = 146.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.35979115328854 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 4.7137040 4.7137040 4.7137040
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (4.7137040 4.7137040 4.7137040)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (4.7137040 4.7137040 4.7137040)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.086 | 5.086 | 5.086 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     4.713704            0     4.713704            0     4.713704   -7.6832551    821492.08    821492.08    821492.08    821492.08    821492.08 -3.5910023e-10 -1.6240714e-10 -8.5131062e-11 
Loop time of 6.796e-06 on 1 procs for 0 steps with 8 atoms

117.7% CPU use with 1 MPI tasks x 1 OpenMP threads

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

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        612.000 ave         612 max         612 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1168.00 ave        1168 max        1168 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1168
Ave neighs/atom = 146.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.960406892414544 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 4.5828590 4.5828590 4.5828590
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (4.5828590 4.5828590 4.5828590)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (4.5828590 4.5828590 4.5828590)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.086 | 5.086 | 5.086 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0     4.582859            0     4.582859            0     4.582859   -2.4876807    1162308.2    1162308.2    1162308.2    1162308.2    1162308.2 -5.802842e-10 -3.2895092e-10 -5.3893433e-10 
Loop time of 6.836e-06 on 1 procs for 0 steps with 8 atoms

102.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.836e-06  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        612.000 ave         612 max         612 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1264.00 ave        1264 max        1264 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1264
Ave neighs/atom = 158.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.310960083670095 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 4.4087400 4.4087400 4.4087400
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (4.4087400 4.4087400 4.4087400)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (4.4087400 4.4087400 4.4087400)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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) = 5.086 | 5.086 | 5.086 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        8            0      4.40874            0      4.40874            0      4.40874    7.1147591    1794984.8    1794984.8    1794984.8    1794984.8    1794984.8 2.5259404e-10 2.6907038e-10 2.0731652e-10 
Loop time of 7.147e-06 on 1 procs for 0 steps with 8 atoms

181.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.147e-06  |            |       |100.00

Nlocal:        8.00000 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        612.000 ave         612 max         612 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1328.00 ave        1328 max        1328 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1328
Ave neighs/atom = 166.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.889344890764719 eV/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: 0:00:10