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 = 2.4193900 2.4193900 2.4193900
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4193900 2.4193900 2.4193900)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4193900 2.4193900 2.4193900)
  create_atoms CPU = 0.000 seconds

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


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

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

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.083 | 5.083 | 5.083 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0      2.41939            0      2.41939            0      2.41939 -0.0024325275   -80859.286   -80859.286   -80859.286   -80859.286   -80859.286 8.6352645e-12 1.4915457e-11 1.5700481e-11 
Loop time of 3.25e-06 on 1 procs for 0 steps with 2 atoms

92.3% 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   |            | 3.25e-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:      100.000 ave         100 max         100 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 100
Ave neighs/atom = 50.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.00121626375244451 eV/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 = 2.2572830 2.2572830 2.2572830
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2572830 2.2572830 2.2572830)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2572830 2.2572830 2.2572830)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.083 | 5.083 | 5.083 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.257283            0     2.257283            0     2.257283   -1.0810541   -597496.19   -597496.19   -597496.19   -597496.19   -597496.19 1.6238722e-10 1.1599087e-10 1.237236e-10 
Loop time of 2.504e-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   |            | 2.504e-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: -0.540527050119755 eV/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 = 2.1568150 2.1568150 2.1568150
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1568150 2.1568150 2.1568150)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1568150 2.1568150 2.1568150)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.083 | 5.083 | 5.083 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.156815            0     2.156815            0     2.156815   -1.4130094   -264139.12   -264139.12   -264139.12   -264139.12   -264139.12 -3.5457809e-11 -4.4322261e-11 -3.5457809e-11 
Loop time of 1.741e-06 on 1 procs for 0 steps with 2 atoms

114.9% 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   |            | 1.741e-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: -0.706504678069715 eV/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 = 2.0838200 2.0838200 2.0838200
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0838200 2.0838200 2.0838200)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0838200 2.0838200 2.0838200)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.083 | 5.083 | 5.083 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0      2.08382            0      2.08382            0      2.08382   -1.5866048   -272899.82   -272899.82   -272899.82   -272899.82   -272899.82 -7.371761e-11 -8.1089371e-11 -8.1089371e-11 
Loop time of 2.206e-06 on 1 procs for 0 steps with 2 atoms

90.7% 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   |            | 2.206e-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: -0.79330238061047 eV/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 = 2.0264540 2.0264540 2.0264540
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0264540 2.0264540 2.0264540)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0264540 2.0264540 2.0264540)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.114 | 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     2.026454            0     2.026454            0     2.026454      -1.6835   -146500.35   -146500.35   -146500.35   -146500.35   -146500.35 6.9469424e-11 8.0157028e-12 8.0157028e-12 
Loop time of 1.858e-06 on 1 procs for 0 steps with 2 atoms

107.6% 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   |            | 1.858e-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: -0.841749984537975 eV/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 = 1.9791920 1.9791920 1.9791920
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9791920 1.9791920 1.9791920)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9791920 1.9791920 1.9791920)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.114 | 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     1.979192            0     1.979192            0     1.979192   -1.7159788    -45006.23    -45006.23    -45006.23    -45006.23    -45006.23 -9.7509232e-11 7.7433802e-11 4.015086e-11 
Loop time of 1.995e-06 on 1 procs for 0 steps with 2 atoms

100.3% 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   |            | 1.995e-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: -0.85798940392908 eV/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 = 1.9390010 1.9390010 1.9390010
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9390010 1.9390010 1.9390010)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9390010 1.9390010 1.9390010)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.114 | 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     1.939001            0     1.939001            0     1.939001   -1.7282678   -67278.363   -67278.363   -67278.363   -67278.363   -67278.363 -6.5574496e-11 8.3874355e-11 8.844932e-11 
Loop time of 2.038e-06 on 1 procs for 0 steps with 2 atoms

98.1% 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   |            | 2.038e-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: -0.864133882142815 eV/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 = 1.9040380 1.9040380 1.9040380
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9040380 1.9040380 1.9040380)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9040380 1.9040380 1.9040380)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.114 | 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     1.904038            0     1.904038            0     1.904038   -1.7621434   -238652.39   -238652.39   -238652.39   -238652.39   -238652.39 4.8316451e-12 -3.2210967e-11 -3.2210967e-11 
Loop time of 2.327e-06 on 1 procs for 0 steps with 2 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.327e-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: -0.881071699075675 eV/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 = 1.8730990 1.8730990 1.8730990
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8730990 1.8730990 1.8730990)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8730990 1.8730990 1.8730990)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.114 | 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     1.873099            0     1.873099            0     1.873099   -1.8169689   -266610.15   -266610.15   -266610.15   -266610.15   -266610.15 -1.2518438e-10 -1.1165093e-10 -1.1165093e-10 
Loop time of 2.138e-06 on 1 procs for 0 steps with 2 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.138e-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: -0.908484435701255 eV/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 = 1.8453510 1.8453510 1.8453510
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8453510 1.8453510 1.8453510)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8453510 1.8453510 1.8453510)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.114 | 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     1.845351            0     1.845351            0     1.845351   -1.8645693   -262900.92   -262900.92   -262900.92   -262900.92   -262900.92 -2.5298786e-10 -1.5922313e-10 -1.6187685e-10 
Loop time of 2.049e-06 on 1 procs for 0 steps with 2 atoms

146.4% 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   |            | 2.049e-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: -0.93228464631173 eV/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 = 1.8201990 1.8201990 1.8201990
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8201990 1.8201990 1.8201990)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8201990 1.8201990 1.8201990)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.114 | 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     1.820199            0     1.820199            0     1.820199   -1.9056991   -256514.78   -256514.78   -256514.78   -256514.78   -256514.78 -7.9270655e-11 -3.3183065e-11 -3.6870072e-11 
Loop time of 1.904e-06 on 1 procs for 0 steps with 2 atoms

105.0% 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   |            | 1.904e-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: -0.95284953555791 eV/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 = 1.7971960 1.7971960 1.7971960
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7971960 1.7971960 1.7971960)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7971960 1.7971960 1.7971960)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.114 | 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     1.797196            0     1.797196            0     1.797196   -1.9412607   -247685.13   -247685.13   -247685.13   -247685.13   -247685.13 -1.1491204e-11 -2.0109607e-11 9.288723e-11 
Loop time of 1.956e-06 on 1 procs for 0 steps with 2 atoms

102.2% 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   |            | 1.956e-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: -0.970630365542915 eV/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 = 1.7760060 1.7760060 1.7760060
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7760060 1.7760060 1.7760060)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7760060 1.7760060 1.7760060)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.114 | 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     1.776006            0     1.776006            0     1.776006   -1.9719631    -236606.2    -236606.2    -236606.2    -236606.2    -236606.2 4.366063e-11 1.3197418e-10 2.3814889e-11 
Loop time of 2.024e-06 on 1 procs for 0 steps with 2 atoms

98.8% 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   |            | 2.024e-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: -0.98598153479841 eV/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 = 1.7563630 1.7563630 1.7563630
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7563630 1.7563630 1.7563630)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7563630 1.7563630 1.7563630)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.114 | 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     1.756363            0     1.756363            0     1.756363    -1.998386   -223439.45   -223439.45   -223439.45   -223439.45   -223439.45 -2.3699531e-10 -3.6780441e-10 -2.5033271e-10 
Loop time of 1.836e-06 on 1 procs for 0 steps with 2 atoms

108.9% 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   |            | 1.836e-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: -0.999192975715685 eV/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 = 1.7380550 1.7380550 1.7380550
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7380550 1.7380550 1.7380550)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7380550 1.7380550 1.7380550)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.114 | 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     1.738055            0     1.738055            0     1.738055   -2.0210063   -208321.26   -208321.26   -208321.26   -208321.26   -208321.26 -1.1010661e-10 -5.8758817e-11 -5.9817535e-11 
Loop time of 1.787e-06 on 1 procs for 0 steps with 2 atoms

56.0% 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   |            | 1.787e-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: -1.01050317475036 eV/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 = 1.7209140 1.7209140 1.7209140
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7209140 1.7209140 1.7209140)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7209140 1.7209140 1.7209140)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.114 | 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     1.720914            0     1.720914            0     1.720914   -2.0402177   -191371.83   -191371.83   -191371.83   -191371.83   -191371.83 1.9359381e-11 -5.5351469e-11 -5.835081e-11 
Loop time of 2.136e-06 on 1 procs for 0 steps with 2 atoms

93.6% 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   |            | 2.136e-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: -1.02010886146464 eV/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 = 1.7048000 1.7048000 1.7048000
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7048000 1.7048000 1.7048000)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7048000 1.7048000 1.7048000)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.114 | 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       1.7048            0       1.7048            0       1.7048   -2.0563552   -172694.15   -172694.15   -172694.15   -172694.15   -172694.15 1.071405e-10 2.3685904e-10 1.1485349e-10 
Loop time of 1.909e-06 on 1 procs for 0 steps with 2 atoms

104.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.909e-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: -1.02817760211218 eV/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 = 1.6895960 1.6895960 1.6895960
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6895960 1.6895960 1.6895960)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6895960 1.6895960 1.6895960)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.114 | 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     1.689596            0     1.689596            0     1.689596   -2.0697051   -152377.43   -152377.43   -152377.43   -152377.43   -152377.43 1.5651708e-10 3.4062092e-10 2.1399551e-10 
Loop time of 1.746e-06 on 1 procs for 0 steps with 2 atoms

57.3% 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   |            | 1.746e-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: -1.03485254012357 eV/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 = 1.6752040 1.6752040 1.6752040
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6752040 1.6752040 1.6752040)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6752040 1.6752040 1.6752040)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.114 | 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     1.675204            0     1.675204            0     1.675204   -2.0805131   -130500.29   -130500.29   -130500.29   -130500.29   -130500.29 1.3804618e-10 3.0033173e-10 1.687888e-10 
Loop time of 1.953e-06 on 1 procs for 0 steps with 2 atoms

51.2% 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   |            | 1.953e-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: -1.04025654472708 eV/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 = 1.6615440 1.6615440 1.6615440
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6615440 1.6615440 1.6615440)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6615440 1.6615440 1.6615440)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.114 | 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     1.661544            0     1.661544            0     1.661544   -2.0889904   -107137.86   -107137.86   -107137.86   -107137.86   -107137.86 1.7268314e-10 1.9388984e-10 1.8540716e-10 
Loop time of 1.851e-06 on 1 procs for 0 steps with 2 atoms

54.0% 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   |            | 1.851e-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: -1.04449518585046 eV/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 = 1.6485430 1.6485430 1.6485430
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6485430 1.6485430 1.6485430)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6485430 1.6485430 1.6485430)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.114 | 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     1.648543            0     1.648543            0     1.648543   -2.0953246   -82349.891   -82349.891   -82349.891   -82349.891   -82349.891 -1.3275581e-10 -6.0174364e-11 -5.3970821e-11 
Loop time of 1.95e-06 on 1 procs for 0 steps with 2 atoms

102.6% 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   |            | 1.95e-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: -1.04766232391654 eV/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 = 1.6361410 1.6361410 1.6361410
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6361410 1.6361410 1.6361410)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6361410 1.6361410 1.6361410)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.115 | 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     1.636141            0     1.636141            0     1.636141    -2.099679   -56195.077   -56195.077   -56195.077   -56195.077   -56195.077 1.7767915e-10 3.2997556e-10 3.312447e-10 
Loop time of 1.543e-06 on 1 procs for 0 steps with 2 atoms

129.6% 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   |            | 1.543e-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: -1.04983951092484 eV/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 = 1.6242850 1.6242850 1.6242850
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6242850 1.6242850 1.6242850)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6242850 1.6242850 1.6242850)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.115 | 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     1.624285            0     1.624285            0     1.624285   -2.1021983   -28724.853   -28724.853   -28724.853   -28724.853   -28724.853 -1.1155328e-10 -1.8808402e-10 -1.9975821e-10 
Loop time of 1.725e-06 on 1 procs for 0 steps with 2 atoms

115.9% 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   |            | 1.725e-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: -1.05109917235334 eV/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 = 1.6129300 1.6129300 1.6129300
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6129300 1.6129300 1.6129300)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6129300 1.6129300 1.6129300)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.115 | 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      1.61293            0      1.61293            0      1.61293   -2.1030114    10.737202    10.737202    10.737202    10.737202    10.737202 2.9938669e-10 6.6500937e-10 3.934418e-10 
Loop time of 1.625e-06 on 1 procs for 0 steps with 2 atoms

123.1% 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   |            | 1.625e-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: -1.05150568018675 eV/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 = 1.6051990 1.6051990 1.6051990
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6051990 1.6051990 1.6051990)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6051990 1.6051990 1.6051990)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.115 | 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     1.605199            0     1.605199            0     1.605199   -2.1026217    21019.061    21019.061    21019.061    21019.061    21019.061 7.5261348e-11  2.27128e-10 2.3653567e-10 
Loop time of 1.813e-06 on 1 procs for 0 steps with 2 atoms

110.3% 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   |            | 1.813e-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: -1.05131083052508 eV/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 = 1.5970630 1.5970630 1.5970630
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5970630 1.5970630 1.5970630)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5970630 1.5970630 1.5970630)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.115 | 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     1.597063            0     1.597063            0     1.597063   -2.1013483    44460.672    44460.672    44460.672    44460.672    44460.672 -3.4797228e-10 -2.5927346e-10 -2.5790886e-10 
Loop time of 1.589e-06 on 1 procs for 0 steps with 2 atoms

62.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.589e-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: -1.05067416670801 eV/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 = 1.5884770 1.5884770 1.5884770
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5884770 1.5884770 1.5884770)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5884770 1.5884770 1.5884770)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.115 | 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     1.588477            0     1.588477            0     1.588477   -2.0990053    70754.109    70754.109    70754.109    70754.109    70754.109 1.4007131e-10 5.9773004e-10 3.1758743e-10 
Loop time of 1.572e-06 on 1 procs for 0 steps with 2 atoms

63.6% 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   |            | 1.572e-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: -1.04950264756198 eV/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 = 1.5793870 1.5793870 1.5793870
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5793870 1.5793870 1.5793870)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5793870 1.5793870 1.5793870)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.115 | 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     1.579387            0     1.579387            0     1.579387   -2.0953586    100421.93    100421.93    100421.93    100421.93    100421.93 -7.3368269e-11 4.3174405e-10 1.4673654e-10 
Loop time of 1.646e-06 on 1 procs for 0 steps with 2 atoms

121.5% 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   |            | 1.646e-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: -1.04767929752847 eV/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 = 1.5697310 1.5697310 1.5697310
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5697310 1.5697310 1.5697310)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5697310 1.5697310 1.5697310)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.115 | 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     1.569731            0     1.569731            0     1.569731   -2.0901121    134113.15    134113.15    134113.15    134113.15    134113.15 -1.1784435e-10 3.0467075e-10 8.6227571e-12 
Loop time of 1.827e-06 on 1 procs for 0 steps with 2 atoms

109.5% 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   |            | 1.827e-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: -1.04505606942806 eV/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 = 1.5594340 1.5594340 1.5594340
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5594340 1.5594340 1.5594340)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5594340 1.5594340 1.5594340)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.115 | 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     1.559434            0     1.559434            0     1.559434   -2.0828857    172655.06    172655.06    172655.06    172655.06    172655.06 -2.9022499e-10 -1.9641489e-10 -4.7491362e-10 
Loop time of 2.049e-06 on 1 procs for 0 steps with 2 atoms

97.6% 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   |            | 2.049e-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: -1.04144284491628 eV/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 = 1.5484050 1.5484050 1.5484050
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5484050 1.5484050 1.5484050)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5484050 1.5484050 1.5484050)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.115 | 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     1.548405            0     1.548405            0     1.548405   -2.0731842    217115.83    217115.83    217115.83    217115.83    217115.83 -7.0074945e-10 -1.0601081e-09 -7.516586e-10 
Loop time of 1.657e-06 on 1 procs for 0 steps with 2 atoms

60.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.657e-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: -1.03659210570957 eV/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 = 1.5365310 1.5365310 1.5365310
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5365310 1.5365310 1.5365310)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5365310 1.5365310 1.5365310)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.115 | 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     1.536531            0     1.536531            0     1.536531   -2.0603514    268903.77    268903.77    268903.77    268903.77    268903.77 -1.7468334e-10 -1.838772e-11            0 
Loop time of 1.683e-06 on 1 procs for 0 steps with 2 atoms

59.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.683e-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: -1.03017570810175 eV/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 = 1.5236720 1.5236720 1.5236720
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5236720 1.5236720 1.5236720)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5236720 1.5236720 1.5236720)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.115 | 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     1.523672            0     1.523672            0     1.523672   -2.0435032    329902.55    329902.55    329902.55    329902.55    329902.55 -4.2743005e-10 -4.9971602e-10 -1.8542921e-10 
Loop time of 1.612e-06 on 1 procs for 0 steps with 2 atoms

62.0% 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   |            | 1.612e-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: -1.02175161652531 eV/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 = 1.5096500 1.5096500 1.5096500
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5096500 1.5096500 1.5096500)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5096500 1.5096500 1.5096500)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.115 | 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      1.50965            0      1.50965            0      1.50965   -2.0214216    402696.98    402696.98    402696.98    402696.98    402696.98 -4.8468887e-10 -8.0781479e-11 -3.9098236e-10 
Loop time of 1.619e-06 on 1 procs for 0 steps with 2 atoms

61.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.619e-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: -1.01071078905689 eV/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 = 1.4942350 1.4942350 1.4942350
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.4942350 1.4942350 1.4942350)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.4942350 1.4942350 1.4942350)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.115 | 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     1.494235            0     1.494235            0     1.494235    -1.992387    490925.87    490925.87    490925.87    490925.87    490925.87 -1.6661492e-10 -1.2662734e-10 -4.4652799e-10 
Loop time of 1.615e-06 on 1 procs for 0 steps with 2 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.615e-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: -0.996193475985745 eV/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 = 1.4771160 1.4771160 1.4771160
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.4771160 1.4771160 1.4771160)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.4771160 1.4771160 1.4771160)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.115 | 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     1.477116            0     1.477116            0     1.477116   -1.9158683    2994757.7    2994757.7    2994757.7    2994757.7    2994757.7 -5.4571171e-09 -5.2225508e-09 -5.1811567e-09 
Loop time of 1.772e-06 on 1 procs for 0 steps with 2 atoms

169.3% 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   |            | 1.772e-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: -0.957934172893875 eV/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 = 1.4578710 1.4578710 1.4578710
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.4578710 1.4578710 1.4578710)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.4578710 1.4578710 1.4578710)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.115 | 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     1.457871            0     1.457871            0     1.457871   -1.4468048    9036044.4    9036044.4    9036044.4    9036044.4    9036044.4 -1.6504453e-10 5.5971624e-10 3.0138567e-10 
Loop time of 1.784e-06 on 1 procs for 0 steps with 2 atoms

56.1% 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   |            | 1.784e-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: -0.723402422103525 eV/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 = 1.4358970 1.4358970 1.4358970
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.4358970 1.4358970 1.4358970)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.4358970 1.4358970 1.4358970)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.115 | 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     1.435897            0     1.435897            0     1.435897  -0.41995813     14451612     14451612     14451612     14451612     14451612 2.193025e-09  2.08788e-09 1.6522791e-10 
Loop time of 1.765e-06 on 1 procs for 0 steps with 2 atoms

113.3% 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   |            | 1.765e-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: -0.20997906714312 eV/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 = 1.4102870 1.4102870 1.4102870
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.4102870 1.4102870 1.4102870)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.4102870 1.4102870 1.4102870)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.115 | 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     1.410287            0     1.410287            0     1.410287    1.1587427     17431282     17431282     17431282     17431282     17431282 8.2440655e-10 2.6951752e-09 9.8294627e-10 
Loop time of 1.719e-06 on 1 procs for 0 steps with 2 atoms

58.2% 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   |            | 1.719e-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: 0.579371354666365 eV/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 = 1.3795980 1.3795980 1.3795980
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.3795980 1.3795980 1.3795980)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.3795980 1.3795980 1.3795980)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.115 | 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     1.379598            0     1.379598            0     1.379598    3.0695144     15766456     15766456     15766456     15766456     15766456 -1.0161415e-09 1.6935691e-10 -4.4032797e-10 
Loop time of 2.019e-06 on 1 procs for 0 steps with 2 atoms

99.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.019e-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: 1.53475717965982 eV/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 = 1.3413020 1.3413020 1.3413020
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.3413020 1.3413020 1.3413020)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.3413020 1.3413020 1.3413020)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.534 | 5.534 | 5.534 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     1.341302            0     1.341302            0     1.341302    4.6041554    6743797.2    6743797.2    6743797.2    6743797.2    6743797.2 2.6167921e-09 2.9484982e-09 3.3539167e-09 
Loop time of 1.965e-06 on 1 procs for 0 steps with 2 atoms

101.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.965e-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: 2.30207772068998 eV/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 = 1.2903400 1.2903400 1.2903400
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.2903400 1.2903400 1.2903400)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.2903400 1.2903400 1.2903400)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 4.1
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.534 | 5.534 | 5.534 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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      1.29034            0      1.29034            0      1.29034    5.8863147    8903722.3    8903722.3    8903722.3    8903722.3    8903722.3 1.6559152e-10 -2.3182813e-09 -2.442475e-09 
Loop time of 1.868e-06 on 1 procs for 0 steps with 2 atoms

107.1% 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   |            | 1.868e-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: 2.94315733521768 eV/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: 0:00:04