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

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

Lattice spacing in x,y,z = 4.1221500 4.1221500 4.1221500
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (4.1221500 4.1221500 4.1221500)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (4.1221500 4.1221500 4.1221500)
  create_atoms CPU = 0.000 seconds

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


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

Your simulation uses code contributions which should be cited:
- OpenKIM: https://doi.org/10.1007/s11837-011-0102-6
- OpenKIM potential: https://openkim.org/cite/MO_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 = 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) = 5.083 | 5.083 | 5.083 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0      4.12215            0      4.12215            0      4.12215   -3.6972622   -122601.53   -122601.53   -122601.53   -122601.53   -122601.53 -2.5395058e-12 -3.8092587e-12 -1.2697529e-12 
Loop time of 3.313e-06 on 1 procs for 0 steps with 2 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   |            | 3.313e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        187.000 ave         187 max         187 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      116.000 ave         116 max         116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116
Ave neighs/atom = 58.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.84863107569764 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.8459510 3.8459510 3.8459510
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.8459510 3.8459510 3.8459510)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.8459510 3.8459510 3.8459510)
  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 = 1 1 1
  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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     3.845951            0     3.845951            0     3.845951   -4.8342761   -157317.38   -157317.38   -157317.38   -157317.38   -157317.38 -2.3451499e-12 -4.6902998e-12 -7.0354497e-12 
Loop time of 2.162e-06 on 1 procs for 0 steps with 2 atoms

138.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.162e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128.000 ave         128 max         128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128
Ave neighs/atom = 64.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.41713807221655 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.6747730 3.6747730 3.6747730
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6747730 3.6747730 3.6747730)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6747730 3.6747730 3.6747730)
  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 = 1 1 1
  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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     3.674773            0     3.674773            0     3.674773    -5.598543   -179478.32   -179478.32   -179478.32   -179478.32   -179478.32 8.9612593e-13 8.9612593e-13 -2.6883778e-12 
Loop time of 2.149e-06 on 1 procs for 0 steps with 2 atoms

139.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.149e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128.000 ave         128 max         128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128
Ave neighs/atom = 64.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.79927150446508 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.5504040 3.5504040 3.5504040
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.5504040 3.5504040 3.5504040)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.5504040 3.5504040 3.5504040)
  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 = 1 1 1
  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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     3.550404            0     3.550404            0     3.550404   -6.1646386   -193169.56   -193169.56   -193169.56   -193169.56   -193169.56 2.9809077e-12 8.9427231e-12 8.9427231e-12 
Loop time of 2.124e-06 on 1 procs for 0 steps with 2 atoms

141.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.124e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128.000 ave         128 max         128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128
Ave neighs/atom = 64.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.08231931788767 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.4526650 3.4526650 3.4526650
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.4526650 3.4526650 3.4526650)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.4526650 3.4526650 3.4526650)
  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 = 1 1 1
  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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     3.452665            0     3.452665            0     3.452665   -6.6129274    -207790.4    -207790.4    -207790.4    -207790.4    -207790.4 -1.0804316e-12 -7.563021e-12 -7.563021e-12 
Loop time of 2.137e-06 on 1 procs for 0 steps with 2 atoms

140.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.137e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      176.000 ave         176 max         176 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 176
Ave neighs/atom = 88.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.30646371986318 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.3721390 3.3721390 3.3721390
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.3721390 3.3721390 3.3721390)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.3721390 3.3721390 3.3721390)
  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 = 1 1 1
  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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     3.372139            0     3.372139            0     3.372139     -6.99339   -226676.82   -226676.82   -226676.82   -226676.82   -226676.82 -2.4353618e-11 -2.3193922e-11 -1.7395441e-11 
Loop time of 2.047e-06 on 1 procs for 0 steps with 2 atoms

146.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.047e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 min
Histogram: 1 0 0 0 0 0 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 = 112.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.49669498446946 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.3036610 3.3036610 3.3036610
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.3036610 3.3036610 3.3036610)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.3036610 3.3036610 3.3036610)
  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 = 1 1 1
  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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     3.303661            0     3.303661            0     3.303661   -7.3295999   -243347.87   -243347.87   -243347.87   -243347.87   -243347.87 -6.7832349e-12 -4.9332617e-12 1.8499732e-12 
Loop time of 2.174e-06 on 1 procs for 0 steps with 2 atoms

184.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.174e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 min
Histogram: 1 0 0 0 0 0 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 = 112.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.66479992556072 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.2440910 3.2440910 3.2440910
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.2440910 3.2440910 3.2440910)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.2440910 3.2440910 3.2440910)
  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 = 1 1 1
  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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     3.244091            0     3.244091            0     3.244091   -7.6252528   -249035.26   -249035.26   -249035.26   -249035.26   -249035.26 -4.7850438e-12 -6.9930485e-12 -1.2287681e-11 
Loop time of 2.154e-06 on 1 procs for 0 steps with 2 atoms

139.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.154e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 min
Histogram: 1 0 0 0 0 0 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 = 112.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.81262638448796 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.1913760 3.1913760 3.1913760
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1913760 3.1913760 3.1913760)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1913760 3.1913760 3.1913760)
  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 = 1 1 1
  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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     3.191376            0     3.191376            0     3.191376   -7.8764422   -239816.51   -239816.51   -239816.51   -239816.51   -239816.51 -3.1207076e-12 -3.2933936e-12 -2.6654443e-12 
Loop time of 2.304e-06 on 1 procs for 0 steps with 2 atoms

130.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.304e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 min
Histogram: 1 0 0 0 0 0 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 = 112.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.93822108844997 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.1441000 3.1441000 3.1441000
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1441000 3.1441000 3.1441000)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1441000 3.1441000 3.1441000)
  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 = 1 1 1
  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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0       3.1441            0       3.1441            0       3.1441   -8.0805414   -217337.01   -217337.01   -217337.01   -217337.01   -217337.01 5.6294874e-12 1.1686531e-11 1.1088511e-11 
Loop time of 2.152e-06 on 1 procs for 0 steps with 2 atoms

139.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.152e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 min
Histogram: 1 0 0 0 0 0 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 = 136.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.04027068867361 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.1012450 3.1012450 3.1012450
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1012450 3.1012450 3.1012450)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1012450 3.1012450 3.1012450)
  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 = 1 1 1
  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) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     3.101245            0     3.101245            0     3.101245    -8.239037   -186101.89   -186101.89   -186101.89   -186101.89   -186101.89 -1.164776e-14 1.9871078e-11 2.1361991e-11 
Loop time of 2.045e-06 on 1 procs for 0 steps with 2 atoms

146.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.045e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 min
Histogram: 1 0 0 0 0 0 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 = 136.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.11951850110883 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.0620540 3.0620540 3.0620540
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0620540 3.0620540 3.0620540)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0620540 3.0620540 3.0620540)
  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 = 1 1 1
  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) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     3.062054            0     3.062054            0     3.062054   -8.3568188   -150993.53   -150993.53   -150993.53   -150993.53   -150993.53 -1.0285633e-12 -3.4850144e-12 8.760939e-12 
Loop time of 2.206e-06 on 1 procs for 0 steps with 2 atoms

136.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.206e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        557.000 ave         557 max         557 min
Histogram: 1 0 0 0 0 0 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 = 136.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.17840938178774 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.0259500 3.0259500 3.0259500
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0259500 3.0259500 3.0259500)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0259500 3.0259500 3.0259500)
  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 = 1 1 1
  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) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0      3.02595            0      3.02595            0      3.02595   -8.4405635   -116110.02   -116110.02   -116110.02   -116110.02   -116110.02 -6.8463331e-12 -5.5171915e-12 -9.0281316e-13 
Loop time of 2.172e-06 on 1 procs for 0 steps with 2 atoms

92.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.172e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        557.000 ave         557 max         557 min
Histogram: 1 0 0 0 0 0 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 = 136.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.22028173369718 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.9924810 2.9924810 2.9924810
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9924810 2.9924810 2.9924810)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9924810 2.9924810 2.9924810)
  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 = 1 1 1
  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) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.992481            0     2.992481            0     2.992481   -8.4974123    -84475.49    -84475.49    -84475.49    -84475.49    -84475.49 1.1927358e-11 5.3932401e-12 1.7009449e-11 
Loop time of 1.987e-06 on 1 procs for 0 steps with 2 atoms

151.0% 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   |            | 1.987e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        557.000 ave         557 max         557 min
Histogram: 1 0 0 0 0 0 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 = 136.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.24870616618123 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.9612890 2.9612890 2.9612890
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9612890 2.9612890 2.9612890)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9612890 2.9612890 2.9612890)
  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 = 1 1 1
  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) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.961289            0     2.961289            0     2.961289   -8.5341595   -58135.442   -58135.442   -58135.442   -58135.442   -58135.442 -8.990369e-12 4.2811281e-12 9.4184818e-12 
Loop time of 2.52e-06 on 1 procs for 0 steps with 2 atoms

119.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.52e-06   |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        557.000 ave         557 max         557 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      336.000 ave         336 max         336 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 336
Ave neighs/atom = 168.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.26707977023089 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.9320840 2.9320840 2.9320840
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9320840 2.9320840 2.9320840)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9320840 2.9320840 2.9320840)
  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 = 1 1 1
  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) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.932084            0     2.932084            0     2.932084   -8.5568523   -38325.733   -38325.733   -38325.733   -38325.733   -38325.733 -1.1025832e-11 7.9385994e-12 -8.820666e-13 
Loop time of 4.156e-06 on 1 procs for 0 steps with 2 atoms

120.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 4.156e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        557.000 ave         557 max         557 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      336.000 ave         336 max         336 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 336
Ave neighs/atom = 168.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.27842615870711 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.9046280 2.9046280 2.9046280
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9046280 2.9046280 2.9046280)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9046280 2.9046280 2.9046280)
  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 = 1 1 1
  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) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.904628            0     2.904628            0     2.904628   -8.5706278   -25639.825   -25639.825   -25639.825   -25639.825   -25639.825 -1.1114633e-11 9.0731699e-13 9.0731699e-13 
Loop time of 1.817e-06 on 1 procs for 0 steps with 2 atoms

165.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.817e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        557.000 ave         557 max         557 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      336.000 ave         336 max         336 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 336
Ave neighs/atom = 168.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.28531390513553 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.8787230 2.8787230 2.8787230
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8787230 2.8787230 2.8787230)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8787230 2.8787230 2.8787230)
  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 = 1 1 1
  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) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.878723            0     2.878723            0     2.878723   -8.5796895   -20065.759   -20065.759   -20065.759   -20065.759   -20065.759 3.4951212e-12 -6.5242262e-12 4.6601615e-12 
Loop time of 1.891e-06 on 1 procs for 0 steps with 2 atoms

158.6% 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   |            | 1.891e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        557.000 ave         557 max         557 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      336.000 ave         336 max         336 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 336
Ave neighs/atom = 168.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.2898447667228 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.8542040 2.8542040 2.8542040
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8542040 2.8542040 2.8542040)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8542040 2.8542040 2.8542040)
  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 = 1 1 1
  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) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.854204            0     2.854204            0     2.854204   -8.5868847   -18436.419   -18436.419   -18436.419   -18436.419   -18436.419 7.171943e-12 -9.5625907e-12 3.8250363e-12 
Loop time of 2.181e-06 on 1 procs for 0 steps with 2 atoms

137.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.181e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        557.000 ave         557 max         557 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      336.000 ave         336 max         336 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 336
Ave neighs/atom = 168.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.29344233203352 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.8309280 2.8309280 2.8309280
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8309280 2.8309280 2.8309280)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8309280 2.8309280 2.8309280)
  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 = 1 1 1
  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) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.830928            0     2.830928            0     2.830928   -8.5933282   -18261.423   -18261.423   -18261.423   -18261.423   -18261.423 -7.3503055e-12 1.1760489e-11 -3.9201629e-12 
Loop time of 2.012e-06 on 1 procs for 0 steps with 2 atoms

149.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.012e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        557.000 ave         557 max         557 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      336.000 ave         336 max         336 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 336
Ave neighs/atom = 168.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.29666408041776 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.8087770 2.8087770 2.8087770
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8087770 2.8087770 2.8087770)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8087770 2.8087770 2.8087770)
  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 = 1 1 1
  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) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.808777            0     2.808777            0     2.808777   -8.5993168   -17875.011   -17875.011   -17875.011   -17875.011   -17875.011 -2.6088684e-11            0 -2.0068218e-11 
Loop time of 2.095e-06 on 1 procs for 0 steps with 2 atoms

143.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.095e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        557.000 ave         557 max         557 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      336.000 ave         336 max         336 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 336
Ave neighs/atom = 168.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.29965839597724 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.7876470 2.7876470 2.7876470
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7876470 2.7876470 2.7876470)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7876470 2.7876470 2.7876470)
  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 = 1 1 1
  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) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.787647            0     2.787647            0     2.787647   -8.6045784   -15632.313   -15632.313   -15632.313   -15632.313   -15632.313 9.750814e-12 -8.2112118e-12 -1.6422424e-11 
Loop time of 2.035e-06 on 1 procs for 0 steps with 2 atoms

147.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.035e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        557.000 ave         557 max         557 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      336.000 ave         336 max         336 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 336
Ave neighs/atom = 168.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.3022892100132 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.7674470 2.7674470 2.7674470
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7674470 2.7674470 2.7674470)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7674470 2.7674470 2.7674470)
  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 = 1 1 1
  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) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.767447            0     2.767447            0     2.767447   -8.6084325   -10068.125   -10068.125   -10068.125   -10068.125   -10068.125 -4.0912618e-11 -2.098083e-11 -3.7765493e-11 
Loop time of 2.151e-06 on 1 procs for 0 steps with 2 atoms

139.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.151e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        557.000 ave         557 max         557 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      336.000 ave         336 max         336 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 336
Ave neighs/atom = 168.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.30421624911009 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.7481000 2.7481000 2.7481000
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7481000 2.7481000 2.7481000)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7481000 2.7481000 2.7481000)
  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 = 1 1 1
  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) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0       2.7481            0       2.7481            0       2.7481    -8.609947   0.61175469   0.61175469   0.61175469   0.61175469   0.61175469 2.4105465e-11 8.5708322e-12 6.4281241e-12 
Loop time of 2.134e-06 on 1 procs for 0 steps with 2 atoms

140.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.134e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        557.000 ave         557 max         557 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      336.000 ave         336 max         336 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 336
Ave neighs/atom = 168.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.3049734768216 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.7285410 2.7285410 2.7285410
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7285410 2.7285410 2.7285410)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7285410 2.7285410 2.7285410)
  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 = 1 1 1
  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) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.728541            0     2.728541            0     2.728541   -8.6078561    16436.982    16436.982    16436.982    16436.982    16436.982            0 2.1891179e-11 3.5025886e-11 
Loop time of 1.829e-06 on 1 procs for 0 steps with 2 atoms

164.0% 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   |            | 1.829e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        557.000 ave         557 max         557 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      336.000 ave         336 max         336 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 336
Ave neighs/atom = 168.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.30392807450256 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.7083850 2.7083850 2.7083850
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7083850 2.7083850 2.7083850)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7083850 2.7083850 2.7083850)
  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 = 1 1 1
  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) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.708385            0     2.708385            0     2.708385    -8.599999    41453.844    41453.844    41453.844    41453.844    41453.844 1.7906858e-11 1.2310965e-11            0 
Loop time of 1.807e-06 on 1 procs for 0 steps with 2 atoms

166.0% 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   |            | 1.807e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        557.000 ave         557 max         557 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      360.000 ave         360 max         360 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 360
Ave neighs/atom = 180.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.29999949940356 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.6875940 2.6875940 2.6875940
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6875940 2.6875940 2.6875940)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6875940 2.6875940 2.6875940)
  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 = 1 1 1
  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) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.687594            0     2.687594            0     2.687594   -8.5834496    77212.541    77212.541    77212.541    77212.541    77212.541 -3.3215256e-11 2.176172e-11 1.1453537e-11 
Loop time of 2.099e-06 on 1 procs for 0 steps with 2 atoms

142.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.099e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        557.000 ave         557 max         557 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      360.000 ave         360 max         360 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 360
Ave neighs/atom = 180.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.29172481062402 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.6661290 2.6661290 2.6661290
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6661290 2.6661290 2.6661290)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6661290 2.6661290 2.6661290)
  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 = 1 1 1
  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) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.666129            0     2.666129            0     2.666129   -8.5545407    125683.25    125683.25    125683.25    125683.25    125683.25 2.6984536e-11 -5.8662035e-12 7.0394443e-12 
Loop time of 2.15e-06 on 1 procs for 0 steps with 2 atoms

139.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.15e-06   |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        557.000 ave         557 max         557 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      360.000 ave         360 max         360 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 360
Ave neighs/atom = 180.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.2772703290661 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.6439420 2.6439420 2.6439420
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6439420 2.6439420 2.6439420)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6439420 2.6439420 2.6439420)
  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 = 1 1 1
  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) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.643942            0     2.643942            0     2.643942   -8.5088631    188630.61    188630.61    188630.61    188630.61    188630.61 -2.406051e-11 -5.7745223e-11 -8.1805733e-11 
Loop time of 1.878e-06 on 1 procs for 0 steps with 2 atoms

159.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.878e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        557.000 ave         557 max         557 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      360.000 ave         360 max         360 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 360
Ave neighs/atom = 180.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.25443156629736 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.6209850 2.6209850 2.6209850
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6209850 2.6209850 2.6209850)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6209850 2.6209850 2.6209850)
  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 = 1 1 1
  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) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.620985            0     2.620985            0     2.620985   -8.4413011    267507.11    267507.11    267507.11    267507.11    267507.11 -1.3584063e-11 -1.5436435e-10 -1.4078029e-10 
Loop time of 2.047e-06 on 1 procs for 0 steps with 2 atoms

97.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.047e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        557.000 ave         557 max         557 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      360.000 ave         360 max         360 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 360
Ave neighs/atom = 180.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.2206505718246 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.5972010 2.5972010 2.5972010
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5972010 2.5972010 2.5972010)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5972010 2.5972010 2.5972010)
  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 = 1 1 1
  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) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.597201            0     2.597201            0     2.597201   -8.3460612    363433.61    363433.61    363433.61    363433.61    363433.61 2.2844751e-11 -4.061289e-11 -6.8534252e-11 
Loop time of 1.664e-06 on 1 procs for 0 steps with 2 atoms

120.2% 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   |            | 1.664e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        557.000 ave         557 max         557 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      456.000 ave         456 max         456 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 456
Ave neighs/atom = 228.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.17303057890079 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.5725290 2.5725290 2.5725290
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5725290 2.5725290 2.5725290)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5725290 2.5725290 2.5725290)
  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 = 1 1 1
  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) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.572529            0     2.572529            0     2.572529   -8.2167318    477235.23    477235.23    477235.23    477235.23    477235.23 6.921905e-11 -7.9667208e-11 -6.399497e-11 
Loop time of 2.25e-06 on 1 procs for 0 steps with 2 atoms

177.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.25e-06   |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        557.000 ave         557 max         557 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      456.000 ave         456 max         456 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 456
Ave neighs/atom = 228.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.10836587517942 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.5469000 2.5469000 2.5469000
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5469000 2.5469000 2.5469000)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5469000 2.5469000 2.5469000)
  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 = 1 1 1
  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) = 5.152 | 5.152 | 5.152 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0       2.5469            0       2.5469            0       2.5469   -8.0462962    609571.79    609571.79    609571.79    609571.79    609571.79 -6.0563008e-11 -2.6916892e-12 -2.6916892e-12 
Loop time of 1.729e-06 on 1 procs for 0 steps with 2 atoms

173.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.729e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        853.000 ave         853 max         853 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      516.000 ave         516 max         516 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 516
Ave neighs/atom = 258.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.02314809959268 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.5202370 2.5202370 2.5202370
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5202370 2.5202370 2.5202370)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5202370 2.5202370 2.5202370)
  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 = 1 1 1
  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) = 5.152 | 5.152 | 5.152 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.520237            0     2.520237            0     2.520237   -7.8271057    761141.88    761141.88    761141.88    761141.88    761141.88 8.3340807e-11 4.1670403e-12 -5.6949551e-11 
Loop time of 2.008e-06 on 1 procs for 0 steps with 2 atoms

149.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.008e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        853.000 ave         853 max         853 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      516.000 ave         516 max         516 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 516
Ave neighs/atom = 258.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.91355286773454 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.4924520 2.4924520 2.4924520
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4924520 2.4924520 2.4924520)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4924520 2.4924520 2.4924520)
  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 = 1 1 1
  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) = 5.152 | 5.152 | 5.152 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.492452            0     2.492452            0     2.492452   -7.5507503    932908.61    932908.61    932908.61    932908.61    932908.61 -3.0379026e-11 -3.8723591e-11 -9.2030012e-11 
Loop time of 1.679e-06 on 1 procs for 0 steps with 2 atoms

178.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.679e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        853.000 ave         853 max         853 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      516.000 ave         516 max         516 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 516
Ave neighs/atom = 258.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.77537516652075 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.4634480 2.4634480 2.4634480
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4634480 2.4634480 2.4634480)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4634480 2.4634480 2.4634480)
  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 = 1 1 1
  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) = 5.152 | 5.152 | 5.152 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.463448            0     2.463448            0     2.463448   -7.2078453    1126811.6    1126811.6    1126811.6    1126811.6    1126811.6 -9.53638e-11 -3.6343123e-10 -2.4217674e-10 
Loop time of 2.321e-06 on 1 procs for 0 steps with 2 atoms

129.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.321e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        853.000 ave         853 max         853 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      516.000 ave         516 max         516 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 516
Ave neighs/atom = 258.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.60392266472569 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.4331120 2.4331120 2.4331120
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4331120 2.4331120 2.4331120)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4331120 2.4331120 2.4331120)
  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 = 1 1 1
  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) = 5.152 | 5.152 | 5.152 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.433112            0     2.433112            0     2.433112   -6.7875617    1345668.5    1345668.5    1345668.5    1345668.5    1345668.5 9.0859209e-11 2.0349888e-10 2.2193204e-10 
Loop time of 2.192e-06 on 1 procs for 0 steps with 2 atoms

136.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.192e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        853.000 ave         853 max         853 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      564.000 ave         564 max         564 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 564
Ave neighs/atom = 282.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.39378085713669 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.4013160 2.4013160 2.4013160
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4013160 2.4013160 2.4013160)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4013160 2.4013160 2.4013160)
  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 = 1 1 1
  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) = 5.152 | 5.152 | 5.152 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.401316            0     2.401316            0     2.401316   -6.2769666    1594542.8    1594542.8    1594542.8    1594542.8    1594542.8 3.7156111e-11 4.0410769e-11 -7.5113537e-11 
Loop time of 2.042e-06 on 1 procs for 0 steps with 2 atoms

146.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.042e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        853.000 ave         853 max         853 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      564.000 ave         564 max         564 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 564
Ave neighs/atom = 282.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.13848332343255 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.3679120 2.3679120 2.3679120
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3679120 2.3679120 2.3679120)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3679120 2.3679120 2.3679120)
  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 = 1 1 1
  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) = 5.152 | 5.152 | 5.152 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.367912            0     2.367912            0     2.367912   -5.6598942    1881449.6    1881449.6    1881449.6    1881449.6    1881449.6 5.5035745e-11 3.2670809e-10 1.3486472e-10 
Loop time of 1.876e-06 on 1 procs for 0 steps with 2 atoms

159.9% 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   |            | 1.876e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        853.000 ave         853 max         853 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      564.000 ave         564 max         564 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 564
Ave neighs/atom = 282.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.82994708415066 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.3327290 2.3327290 2.3327290
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3327290 2.3327290 2.3327290)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3327290 2.3327290 2.3327290)
  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 = 1 1 1
  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) = 5.152 | 5.152 | 5.152 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.332729            0     2.332729            0     2.332729   -4.9154169    2218167.3    2218167.3    2218167.3    2218167.3    2218167.3 -5.417679e-11 1.7069999e-10 3.4632639e-10 
Loop time of 2.011e-06 on 1 procs for 0 steps with 2 atoms

149.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.011e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        853.000 ave         853 max         853 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      612.000 ave         612 max         612 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 612
Ave neighs/atom = 306.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.45770845374228 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.2955670 2.2955670 2.2955670
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2955670 2.2955670 2.2955670)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2955670 2.2955670 2.2955670)
  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 = 1 1 1
  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) = 5.152 | 5.152 | 5.152 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.295567            0     2.295567            0     2.295567   -4.0159349    2619896.4    2619896.4    2619896.4    2619896.4    2619896.4 8.383296e-11 2.4653036e-10  1.86104e-11 
Loop time of 1.939e-06 on 1 procs for 0 steps with 2 atoms

103.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.939e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        853.000 ave         853 max         853 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      660.000 ave         660 max         660 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 660
Ave neighs/atom = 330.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.00796743656849 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.2561900 2.2561900 2.2561900
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2561900 2.2561900 2.2561900)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2561900 2.2561900 2.2561900)
  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 = 1 1 1
  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) = 5.152 | 5.152 | 5.152 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0      2.25619            0      2.25619            0      2.25619   -2.9256806      3102058      3102058      3102058      3102058      3102058 1.3927043e-10 2.3764304e-10 5.2174988e-10 
Loop time of 1.875e-06 on 1 procs for 0 steps with 2 atoms

160.0% 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   |            | 1.875e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        853.000 ave         853 max         853 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      660.000 ave         660 max         660 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 660
Ave neighs/atom = 330.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.46284030909392 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.2143170 2.2143170 2.2143170
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2143170 2.2143170 2.2143170)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2143170 2.2143170 2.2143170)
  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 = 1 1 1
  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) = 5.152 | 5.152 | 5.152 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.214317            0     2.214317            0     2.214317   -1.6007638    3675279.1    3675279.1    3675279.1    3675279.1    3675279.1 2.0095133e-10 5.4218461e-10 9.7173408e-10 
Loop time of 2.3e-06 on 1 procs for 0 steps with 2 atoms

260.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.3e-06    |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        853.000 ave         853 max         853 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      676.000 ave         676 max         676 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 676
Ave neighs/atom = 338.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.80038189637549 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.1696090 2.1696090 2.1696090
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1696090 2.1696090 2.1696090)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1696090 2.1696090 2.1696090)
  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 = 1 1 1
  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) = 5.155 | 5.155 | 5.155 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.169609            0     2.169609            0     2.169609 0.0099951418    4349283.6    4349283.6    4349283.6    4349283.6    4349283.6 7.8377008e-11 1.550123e-09 1.2235522e-09 
Loop time of 3.098e-06 on 1 procs for 0 steps with 2 atoms

96.8% 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   |            | 3.098e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1239.00 ave        1239 max        1239 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      676.000 ave         676 max         676 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 676
Ave neighs/atom = 338.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.00499757090099918 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.1216560 2.1216560 2.1216560
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1216560 2.1216560 2.1216560)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1216560 2.1216560 2.1216560)
  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 = 1 1 1
  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) = 5.155 | 5.155 | 5.155 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.121656            0     2.121656            0     2.121656    1.9714922    5169751.1    5169751.1    5169751.1    5169751.1    5169751.1 -1.5714822e-11 -8.8701439e-10 -8.3812383e-10 
Loop time of 3.202e-06 on 1 procs for 0 steps with 2 atoms

124.9% 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   |            | 3.202e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1239.00 ave        1239 max        1239 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      820.000 ave         820 max         820 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 820
Ave neighs/atom = 410.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.9857461180406 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.0699490 2.0699490 2.0699490
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0699490 2.0699490 2.0699490)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0699490 2.0699490 2.0699490)
  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 = 1 1 1
  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) = 5.155 | 5.155 | 5.155 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.069949            0     2.069949            0     2.069949    4.3953039    6296381.5    6296381.5    6296381.5    6296381.5    6296381.5 -4.0997369e-10 9.4495141e-10 1.6393861e-09 
Loop time of 1.869e-06 on 1 procs for 0 steps with 2 atoms

107.0% 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   |            | 1.869e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1239.00 ave        1239 max        1239 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      820.000 ave         820 max         820 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 820
Ave neighs/atom = 410.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 2.19765196994519 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 2.0138490 2.0138490 2.0138490
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0138490 2.0138490 2.0138490)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0138490 2.0138490 2.0138490)
  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 = 1 1 1
  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) = 5.155 | 5.155 | 5.155 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.013849            0     2.013849            0     2.013849    7.5075147    8038613.2    8038613.2    8038613.2    8038613.2    8038613.2 2.3485641e-10 -2.292016e-10 -8.8998665e-11 
Loop time of 2.249e-06 on 1 procs for 0 steps with 2 atoms

133.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.249e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1239.00 ave        1239 max        1239 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      916.000 ave         916 max         916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 916
Ave neighs/atom = 458.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 3.75375734580658 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.9525410 1.9525410 1.9525410
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9525410 1.9525410 1.9525410)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9525410 1.9525410 1.9525410)
  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 = 1 1 1
  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
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.155 | 5.155 | 5.155 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     1.952541            0     1.952541            0     1.952541     11.70466     10711014     10711014     10711014     10711014     10711014 -2.0946091e-10 2.0149878e-09 2.2405037e-09 
Loop time of 1.77e-06 on 1 procs for 0 steps with 2 atoms

113.0% 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   |            | 1.77e-06   |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1239.00 ave        1239 max        1239 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1060.00 ave        1060 max        1060 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1060
Ave neighs/atom = 530.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 5.8523302243554 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.8849570 1.8849570 1.8849570
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8849570 1.8849570 1.8849570)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8849570 1.8849570 1.8849570)
  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 = 1 1 1
  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
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.209 | 5.209 | 5.209 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     1.884957            0     1.884957            0     1.884957    17.537119     14515329     14515329     14515329     14515329     14515329 -1.5122188e-09 1.0192122e-09 6.0422355e-10 
Loop time of 1.959e-06 on 1 procs for 0 steps with 2 atoms

102.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.959e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1727.00 ave        1727 max        1727 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1072.00 ave        1072 max        1072 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1072
Ave neighs/atom = 536.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 8.7685596474854 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.8096650 1.8096650 1.8096650
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8096650 1.8096650 1.8096650)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8096650 1.8096650 1.8096650)
  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 = 1 1 1
  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
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.209 | 5.209 | 5.209 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     1.809665            0     1.809665            0     1.809665    25.765562     20057804     20057804     20057804     20057804     20057804 2.9651612e-10 -1.1736715e-09 -2.1054566e-09 
Loop time of 2.053e-06 on 1 procs for 0 steps with 2 atoms

146.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.053e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1727.00 ave        1727 max        1727 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1288.00 ave        1288 max        1288 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1288
Ave neighs/atom = 644.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 12.8827811141432 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.7246780 1.7246780 1.7246780
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7246780 1.7246780 1.7246780)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7246780 1.7246780 1.7246780)
  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 = 1 1 1
  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
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.209 | 5.209 | 5.209 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     1.724678            0     1.724678            0     1.724678    37.843742     29402670     29402670     29402670     29402670     29402670 -1.603772e-09 -4.197243e-09 -3.9381405e-09 
Loop time of 2.551e-06 on 1 procs for 0 steps with 2 atoms

470.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.551e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1727.00 ave        1727 max        1727 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1448.00 ave        1448 max        1448 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1448
Ave neighs/atom = 724.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 18.921870833261 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.6271230 1.6271230 1.6271230
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6271230 1.6271230 1.6271230)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6271230 1.6271230 1.6271230)
  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 = 1 1 1
  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
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.219 | 5.219 | 5.219 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     1.627123            0     1.627123            0     1.627123    56.822435     45894725     45894725     45894725     45894725     45894725 -7.1077368e-10 8.5767022e-09 4.2759466e-09 
Loop time of 2.035e-06 on 1 procs for 0 steps with 2 atoms

147.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.035e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2329.00 ave        2329 max        2329 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1784.00 ave        1784 max        1784 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1784
Ave neighs/atom = 892.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 28.4112174131749 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.5126290 1.5126290 1.5126290
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5126290 1.5126290 1.5126290)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5126290 1.5126290 1.5126290)
  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 = 1 1 1
  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
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.278 | 5.278 | 5.278 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     1.512629            0     1.512629            0     1.512629     87.96507     75506946     75506946     75506946     75506946     75506946 3.5249941e-09 -2.0185096e-08 -2.4046249e-08 
Loop time of 1.79e-06 on 1 procs for 0 steps with 2 atoms

223.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.79e-06   |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3057.00 ave        3057 max        3057 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      2132.00 ave        2132 max        2132 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2132
Ave neighs/atom = 1066.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 43.9825352291574 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 1.3740500 1.3740500 1.3740500
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.3740500 1.3740500 1.3740500)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.3740500 1.3740500 1.3740500)
  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 = 1 1 1
  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
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.291 | 5.291 | 5.291 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0      1.37405            0      1.37405            0      1.37405     145.7164 1.4947635e+08 1.4947635e+08 1.4947635e+08 1.4947635e+08 1.4947635e+08 -2.1495139e-09 -4.6639623e-08 -5.3153054e-08 
Loop time of 1.714e-06 on 1 procs for 0 steps with 2 atoms

116.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.714e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3923.00 ave        3923 max        3923 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      2916.00 ave        2916 max        2916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2916
Ave neighs/atom = 1458.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 72.858201285889 eV/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: 0:00:09