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

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

Lattice spacing in x,y,z = 3.1026200 3.1026200 3.1026200
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1026200 3.1026200 3.1026200)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1026200 3.1026200 3.1026200)
  create_atoms CPU = 0.001 seconds

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


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

Your simulation uses code contributions which should be cited:
- OpenKIM: https://doi.org/10.1007/s11837-011-0102-6
- OpenKIM potential: https://openkim.org/cite/MO_110119204723_001#item-citation
The log file lists these citations in BibTeX format.

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0      3.10262            0      3.10262            0      3.10262  -0.68073151   -86382.718   -86382.718   -86382.718   -86382.718   -86382.718            0            0            0 
Loop time of 1.305e-05 on 1 procs for 0 steps with 1 atoms

160.9% 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   |            | 1.305e-05  |            |       |100.00

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

Total # of neighbors = 32
Ave neighs/atom = 32.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.680731512426069 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 = 2.8947320 2.8947320 2.8947320
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8947320 2.8947320 2.8947320)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8947320 2.8947320 2.8947320)
  create_atoms CPU = 0.001 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.894732            0     2.894732            0     2.894732   -1.0834831   -150318.08   -150318.08   -150318.08   -150318.08   -150318.08            0            0            0 
Loop time of 6.646e-06 on 1 procs for 0 steps with 1 atoms

240.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.646e-06  |            |       |100.00

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

Total # of neighbors = 56
Ave neighs/atom = 56.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.08348306006357 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 = 2.7658920 2.7658920 2.7658920
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7658920 2.7658920 2.7658920)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7658920 2.7658920 2.7658920)
  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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.765892            0     2.765892            0     2.765892   -1.4258419    -207159.6    -207159.6    -207159.6    -207159.6    -207159.6            0            0            0 
Loop time of 1.0414e-05 on 1 procs for 0 steps with 1 atoms

134.4% 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   |            | 1.041e-05  |            |       |100.00

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

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.42584190624381 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 = 2.6722820 2.6722820 2.6722820
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6722820 2.6722820 2.6722820)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6722820 2.6722820 2.6722820)
  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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.672282            0     2.672282            0     2.672282   -1.7256083   -257128.69   -257128.69   -257128.69   -257128.69   -257128.69            0            0            0 
Loop time of 6.615e-06 on 1 procs for 0 steps with 1 atoms

181.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.615e-06  |            |       |100.00

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

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.7256082829155 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 = 2.5987170 2.5987170 2.5987170
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5987170 2.5987170 2.5987170)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5987170 2.5987170 2.5987170)
  create_atoms CPU = 0.001 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.598717            0     2.598717            0     2.598717   -1.9919487    -300429.4    -300429.4    -300429.4    -300429.4    -300429.4            0            0            0 
Loop time of 8.63e-06 on 1 procs for 0 steps with 1 atoms

220.2% 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   |            | 8.63e-06   |            |       |100.00

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

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.99194874778244 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 = 2.5381070 2.5381070 2.5381070
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5381070 2.5381070 2.5381070)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5381070 2.5381070 2.5381070)
  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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.538107            0     2.538107            0     2.538107   -2.2305462   -337238.41   -337238.41   -337238.41   -337238.41   -337238.41            0            0            0 
Loop time of 9.622e-06 on 1 procs for 0 steps with 1 atoms

145.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 9.622e-06  |            |       |100.00

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

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.23054623945791 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 = 2.4865660 2.4865660 2.4865660
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4865660 2.4865660 2.4865660)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4865660 2.4865660 2.4865660)
  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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.486566            0     2.486566            0     2.486566   -2.4452834   -367704.79   -367704.79   -367704.79   -367704.79   -367704.79            0            0            0 
Loop time of 6.415e-06 on 1 procs for 0 steps with 1 atoms

233.8% 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   |            | 6.415e-06  |            |       |100.00

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

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.44528338351264 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 = 2.4417290 2.4417290 2.4417290
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4417290 2.4417290 2.4417290)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4417290 2.4417290 2.4417290)
  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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.441729            0     2.441729            0     2.441729   -2.6390084   -391958.28   -391958.28   -391958.28   -391958.28   -391958.28            0            0            0 
Loop time of 7.408e-06 on 1 procs for 0 steps with 1 atoms

216.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.408e-06  |            |       |100.00

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

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.63900837015737 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 = 2.4020520 2.4020520 2.4020520
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4020520 2.4020520 2.4020520)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4020520 2.4020520 2.4020520)
  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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.402052            0     2.402052            0     2.402052   -2.8138939   -410110.79   -410110.79   -410110.79   -410110.79   -410110.79            0            0            0 
Loop time of 9.582e-06 on 1 procs for 0 steps with 1 atoms

219.2% 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   |            | 9.582e-06  |            |       |100.00

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

Total # of neighbors = 92
Ave neighs/atom = 92.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.81389385370749 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 = 2.3664690 2.3664690 2.3664690
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3664690 2.3664690 2.3664690)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3664690 2.3664690 2.3664690)
  create_atoms CPU = 0.001 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.366469            0     2.366469            0     2.366469   -2.9716673   -422261.96   -422261.96   -422261.96   -422261.96   -422261.96            0            0            0 
Loop time of 6.735e-06 on 1 procs for 0 steps with 1 atoms

193.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.735e-06  |            |       |100.00

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

Total # of neighbors = 92
Ave neighs/atom = 92.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.97166725704908 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 = 2.3342130 2.3342130 2.3342130
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3342130 2.3342130 2.3342130)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3342130 2.3342130 2.3342130)
  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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.334213            0     2.334213            0     2.334213   -3.1137376   -428500.55   -428500.55   -428500.55   -428500.55   -428500.55            0            0            0 
Loop time of 1.0855e-05 on 1 procs for 0 steps with 1 atoms

211.9% 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   |            | 1.086e-05  |            |       |100.00

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

Total # of neighbors = 92
Ave neighs/atom = 92.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.11373755490994 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 = 2.3047150 2.3047150 2.3047150
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3047150 2.3047150 2.3047150)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3047150 2.3047150 2.3047150)
  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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.304715            0     2.304715            0     2.304715   -3.2412717   -428905.99   -428905.99   -428905.99   -428905.99   -428905.99            0            0            0 
Loop time of 6.746e-06 on 1 procs for 0 steps with 1 atoms

237.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.746e-06  |            |       |100.00

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

Total # of neighbors = 92
Ave neighs/atom = 92.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.24127169220769 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 = 2.2775400 2.2775400 2.2775400
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2775400 2.2775400 2.2775400)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2775400 2.2775400 2.2775400)
  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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0      2.27754            0      2.27754            0      2.27754   -3.3552595   -423550.24   -423550.24   -423550.24   -423550.24   -423550.24            0            0            0 
Loop time of 6.896e-06 on 1 procs for 0 steps with 1 atoms

159.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.896e-06  |            |       |100.00

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

Total # of neighbors = 92
Ave neighs/atom = 92.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.35525954508632 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 = 2.2523490 2.2523490 2.2523490
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2523490 2.2523490 2.2523490)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2523490 2.2523490 2.2523490)
  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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.252349            0     2.252349            0     2.252349   -3.4565477   -412498.88   -412498.88   -412498.88   -412498.88   -412498.88            0            0            0 
Loop time of 6.365e-06 on 1 procs for 0 steps with 1 atoms

172.8% 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   |            | 6.365e-06  |            |       |100.00

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

Total # of neighbors = 122
Ave neighs/atom = 122.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.45654771213187 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 = 2.2288720 2.2288720 2.2288720
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2288720 2.2288720 2.2288720)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2288720 2.2288720 2.2288720)
  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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.228872            0     2.228872            0     2.228872   -3.5458727   -395812.22   -395812.22   -395812.22   -395812.22   -395812.22            0            0            0 
Loop time of 6.004e-06 on 1 procs for 0 steps with 1 atoms

216.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.004e-06  |            |       |100.00

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

Total # of neighbors = 122
Ave neighs/atom = 122.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.54587274516422 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 = 2.2068900 2.2068900 2.2068900
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2068900 2.2068900 2.2068900)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2068900 2.2068900 2.2068900)
  create_atoms CPU = 0.001 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0      2.20689            0      2.20689            0      2.20689   -3.6238832   -373545.02   -373545.02   -373545.02   -373545.02   -373545.02            0            0            0 
Loop time of 6.555e-06 on 1 procs for 0 steps with 1 atoms

198.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.555e-06  |            |       |100.00

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

Total # of neighbors = 122
Ave neighs/atom = 122.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.62388322640304 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 = 2.1862250 2.1862250 2.1862250
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1862250 2.1862250 2.1862250)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1862250 2.1862250 2.1862250)
  create_atoms CPU = 0.001 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.186225            0     2.186225            0     2.186225   -3.6911475   -345749.83   -345749.83   -345749.83   -345749.83   -345749.83            0            0            0 
Loop time of 1.0314e-05 on 1 procs for 0 steps with 1 atoms

203.6% 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   |            | 1.031e-05  |            |       |100.00

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

Total # of neighbors = 122
Ave neighs/atom = 122.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.6911475491706 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 = 2.1667270 2.1667270 2.1667270
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1667270 2.1667270 2.1667270)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1667270 2.1667270 2.1667270)
  create_atoms CPU = 0.001 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.166727            0     2.166727            0     2.166727   -3.7481805   -312472.64   -312472.64   -312472.64   -312472.64   -312472.64            0            0            0 
Loop time of 6.515e-06 on 1 procs for 0 steps with 1 atoms

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

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

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

Total # of neighbors = 122
Ave neighs/atom = 122.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.74818050456536 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 = 2.1482710 2.1482710 2.1482710
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1482710 2.1482710 2.1482710)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1482710 2.1482710 2.1482710)
  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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.148271            0     2.148271            0     2.148271   -3.7954406   -273756.91   -273756.91   -273756.91   -273756.91   -273756.91            0            0            0 
Loop time of 1.0876e-05 on 1 procs for 0 steps with 1 atoms

147.1% 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   |            | 1.088e-05  |            |       |100.00

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

Total # of neighbors = 146
Ave neighs/atom = 146.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.79544063010388 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 = 2.1307530 2.1307530 2.1307530
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1307530 2.1307530 2.1307530)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1307530 2.1307530 2.1307530)
  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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.130753            0     2.130753            0     2.130753   -3.8333382   -229648.36   -229648.36   -229648.36   -229648.36   -229648.36            0            0            0 
Loop time of 9.051e-06 on 1 procs for 0 steps with 1 atoms

154.7% 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   |            | 9.051e-06  |            |       |100.00

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

Total # of neighbors = 146
Ave neighs/atom = 146.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.83333824724889 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 = 2.1140800 2.1140800 2.1140800
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1140800 2.1140800 2.1140800)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1140800 2.1140800 2.1140800)
  create_atoms CPU = 0.001 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0      2.11408            0      2.11408            0      2.11408   -3.8622556   -180179.55   -180179.55   -180179.55   -180179.55   -180179.55            0            0            0 
Loop time of 1.0144e-05 on 1 procs for 0 steps with 1 atoms

207.0% 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   |            | 1.014e-05  |            |       |100.00

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

Total # of neighbors = 146
Ave neighs/atom = 146.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.86225563520117 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 = 2.0981760 2.0981760 2.0981760
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0981760 2.0981760 2.0981760)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0981760 2.0981760 2.0981760)
  create_atoms CPU = 0.001 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.098176            0     2.098176            0     2.098176   -3.8825333   -125392.58   -125392.58   -125392.58   -125392.58   -125392.58            0            0            0 
Loop time of 1.4915e-05 on 1 procs for 0 steps with 1 atoms

134.1% 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   |            | 1.492e-05  |            |       |100.00

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

Total # of neighbors = 146
Ave neighs/atom = 146.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.88253328279903 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 = 2.0829720 2.0829720 2.0829720
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0829720 2.0829720 2.0829720)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0829720 2.0829720 2.0829720)
  create_atoms CPU = 0.001 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.082972            0     2.082972            0     2.082972   -3.8944888   -65317.446   -65317.446   -65317.446   -65317.446   -65317.446            0            0            0 
Loop time of 7.237e-06 on 1 procs for 0 steps with 1 atoms

165.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.237e-06  |            |       |100.00

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

Total # of neighbors = 146
Ave neighs/atom = 146.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.89448879633357 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 = 2.0684100 2.0684100 2.0684100
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0684100 2.0684100 2.0684100)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0684100 2.0684100 2.0684100)
  create_atoms CPU = 0.001 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0      2.06841            0      2.06841            0      2.06841   -3.8984122    8.9207817    8.9207817    8.9207817    8.9207817    8.9207817            0            0            0 
Loop time of 1.2809e-05 on 1 procs for 0 steps with 1 atoms

179.6% 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   |            | 1.281e-05  |            |       |100.00

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

Total # of neighbors = 146
Ave neighs/atom = 146.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.89841219849292 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 = 2.0584960 2.0584960 2.0584960
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0584960 2.0584960 2.0584960)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0584960 2.0584960 2.0584960)
  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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.058496            0     2.058496            0     2.058496   -3.8964958     49229.93     49229.93     49229.93     49229.93     49229.93            0            0            0 
Loop time of 6.435e-06 on 1 procs for 0 steps with 1 atoms

155.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.435e-06  |            |       |100.00

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

Total # of neighbors = 146
Ave neighs/atom = 146.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.89649577153718 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 = 2.0480630 2.0480630 2.0480630
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0480630 2.0480630 2.0480630)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0480630 2.0480630 2.0480630)
  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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.048063            0     2.048063            0     2.048063   -3.8901604    105499.34    105499.34    105499.34    105499.34    105499.34            0            0            0 
Loop time of 8.299e-06 on 1 procs for 0 steps with 1 atoms

180.7% 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   |            | 8.299e-06  |            |       |100.00

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

Total # of neighbors = 170
Ave neighs/atom = 170.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.89016042442378 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 = 2.0370520 2.0370520 2.0370520
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0370520 2.0370520 2.0370520)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0370520 2.0370520 2.0370520)
  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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.037052            0     2.037052            0     2.037052   -3.8783483     170201.7     170201.7     170201.7     170201.7     170201.7            0            0            0 
Loop time of 9.633e-06 on 1 procs for 0 steps with 1 atoms

176.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 9.633e-06  |            |       |100.00

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

Total # of neighbors = 170
Ave neighs/atom = 170.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.878348311852 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 = 2.0253950 2.0253950 2.0253950
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0253950 2.0253950 2.0253950)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0253950 2.0253950 2.0253950)
  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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.025395            0     2.025395            0     2.025395   -3.8597064    245078.55    245078.55    245078.55    245078.55    245078.55            0            0            0 
Loop time of 1.2739e-05 on 1 procs for 0 steps with 1 atoms

180.5% 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   |            | 1.274e-05  |            |       |100.00

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

Total # of neighbors = 170
Ave neighs/atom = 170.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.85970644014044 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 = 2.0130130 2.0130130 2.0130130
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0130130 2.0130130 2.0130130)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0130130 2.0130130 2.0130130)
  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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     2.013013            0     2.013013            0     2.013013   -3.8324884    332345.24    332345.24    332345.24    332345.24    332345.24            0            0            0 
Loop time of 7.958e-06 on 1 procs for 0 steps with 1 atoms

150.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.958e-06  |            |       |100.00

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

Total # of neighbors = 170
Ave neighs/atom = 170.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.83248843901267 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 = 1.9998080 1.9998080 1.9998080
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9998080 1.9998080 1.9998080)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9998080 1.9998080 1.9998080)
  create_atoms CPU = 0.001 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     1.999808            0     1.999808            0     1.999808    -3.794399    434899.33    434899.33    434899.33    434899.33    434899.33            0            0            0 
Loop time of 1.1988e-05 on 1 procs for 0 steps with 1 atoms

200.2% 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   |            | 1.199e-05  |            |       |100.00

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

Total # of neighbors = 170
Ave neighs/atom = 170.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.79439896473973 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 = 1.9856640 1.9856640 1.9856640
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9856640 1.9856640 1.9856640)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9856640 1.9856640 1.9856640)
  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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     1.985664            0     1.985664            0     1.985664   -3.7423916    556540.66    556540.66    556540.66    556540.66    556540.66            0            0            0 
Loop time of 8.77e-06 on 1 procs for 0 steps with 1 atoms

262.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 8.77e-06   |            |       |100.00

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

Total # of neighbors = 170
Ave neighs/atom = 170.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.74239155395976 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 = 1.9704380 1.9704380 1.9704380
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9704380 1.9704380 1.9704380)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9704380 1.9704380 1.9704380)
  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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     1.970438            0     1.970438            0     1.970438   -3.6723457    702374.69    702374.69    702374.69    702374.69    702374.69            0            0            0 
Loop time of 6.835e-06 on 1 procs for 0 steps with 1 atoms

234.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.835e-06  |            |       |100.00

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

Total # of neighbors = 170
Ave neighs/atom = 170.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.67234570813902 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 = 1.9539480 1.9539480 1.9539480
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9539480 1.9539480 1.9539480)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9539480 1.9539480 1.9539480)
  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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     1.953948            0     1.953948            0     1.953948   -3.5785566    879444.66    879444.66    879444.66    879444.66    879444.66            0            0            0 
Loop time of 7.377e-06 on 1 procs for 0 steps with 1 atoms

216.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.377e-06  |            |       |100.00

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

Total # of neighbors = 178
Ave neighs/atom = 178.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.57855658430449 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 = 1.9359670 1.9359670 1.9359670
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9359670 1.9359670 1.9359670)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9359670 1.9359670 1.9359670)
  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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     1.935967            0     1.935967            0     1.935967   -3.4529882    1097616.5    1097616.5    1097616.5    1097616.5    1097616.5            0            0            0 
Loop time of 1.1075e-05 on 1 procs for 0 steps with 1 atoms

189.6% 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   |            | 1.107e-05  |            |       |100.00

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

Total # of neighbors = 178
Ave neighs/atom = 178.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.45298819127717 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 = 1.9161980 1.9161980 1.9161980
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9161980 1.9161980 1.9161980)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9161980 1.9161980 1.9161980)
  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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     1.916198            0     1.916198            0     1.916198   -3.2839641    1371210.4    1371210.4    1371210.4    1371210.4    1371210.4            0            0            0 
Loop time of 9.181e-06 on 1 procs for 0 steps with 1 atoms

141.6% 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   |            | 9.181e-06  |            |       |100.00

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

Total # of neighbors = 178
Ave neighs/atom = 178.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.28396411772482 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 = 1.8942460 1.8942460 1.8942460
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8942460 1.8942460 1.8942460)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8942460 1.8942460 1.8942460)
  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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     1.894246            0     1.894246            0     1.894246   -3.0539755    1721709.5    1721709.5    1721709.5    1721709.5    1721709.5            0            0            0 
Loop time of 7.236e-06 on 1 procs for 0 steps with 1 atoms

248.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.236e-06  |            |       |100.00

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

Total # of neighbors = 178
Ave neighs/atom = 178.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.0539755055958 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 = 1.8695670 1.8695670 1.8695670
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8695670 1.8695670 1.8695670)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8695670 1.8695670 1.8695670)
  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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     1.869567            0     1.869567            0     1.869567   -2.7356717      2182790      2182790      2182790      2182790      2182790            0            0            0 
Loop time of 1.1326e-05 on 1 procs for 0 steps with 1 atoms

282.5% 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   |            | 1.133e-05  |            |       |100.00

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

Total # of neighbors = 202
Ave neighs/atom = 202.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.73567169133875 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 = 1.8413880 1.8413880 1.8413880
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8413880 1.8413880 1.8413880)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8413880 1.8413880 1.8413880)
  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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     1.841388            0     1.841388            0     1.841388   -2.2842206    2810013.9    2810013.9    2810013.9    2810013.9    2810013.9            0            0            0 
Loop time of 7.397e-06 on 1 procs for 0 steps with 1 atoms

297.4% 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   |            | 7.397e-06  |            |       |100.00

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

Total # of neighbors = 202
Ave neighs/atom = 202.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.28422061231694 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 = 1.8085470 1.8085470 1.8085470
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8085470 1.8085470 1.8085470)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8085470 1.8085470 1.8085470)
  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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     1.808547            0     1.808547            0     1.808547   -1.6211548      3701722      3701722      3701722      3701722      3701722            0            0            0 
Loop time of 7.066e-06 on 1 procs for 0 steps with 1 atoms

169.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.066e-06  |            |       |100.00

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

Total # of neighbors = 250
Ave neighs/atom = 250.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.62115475031537 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 = 1.7691920 1.7691920 1.7691920
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7691920 1.7691920 1.7691920)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7691920 1.7691920 1.7691920)
  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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     1.769192            0     1.769192            0     1.769192  -0.59718662    5048192.1    5048192.1    5048192.1    5048192.1    5048192.1            0            0            0 
Loop time of 7.106e-06 on 1 procs for 0 steps with 1 atoms

168.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.106e-06  |            |       |100.00

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

Total # of neighbors = 250
Ave neighs/atom = 250.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.59718661780676 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 = 1.7200820 1.7200820 1.7200820
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7200820 1.7200820 1.7200820)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7200820 1.7200820 1.7200820)
  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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0     1.720082            0     1.720082            0     1.720082    1.1078525    7268016.4    7268016.4    7268016.4    7268016.4    7268016.4            0            0            0 
Loop time of 7.568e-06 on 1 procs for 0 steps with 1 atoms

198.2% 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   |            | 7.568e-06  |            |       |100.00

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

Total # of neighbors = 250
Ave neighs/atom = 250.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 1.10785248780536 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 = 1.6547300 1.6547300 1.6547300
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6547300 1.6547300 1.6547300)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6547300 1.6547300 1.6547300)
  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 = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.194 | 5.194 | 5.194 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        1            0      1.65473            0      1.65473            0      1.65473    4.3162589     11479249     11479249     11479249     11479249     11479249            0            0            0 
Loop time of 6.274e-06 on 1 procs for 0 steps with 1 atoms

143.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.274e-06  |            |       |100.00

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

Total # of neighbors = 256
Ave neighs/atom = 256.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 4.31625894620375 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: 0:00:13