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

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

Lattice spacing in x,y,z = 4.2034800 4.2034800 4.2034800
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (4.2034800 4.2034800 4.2034800)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (4.2034800 4.2034800 4.2034800)
  create_atoms CPU = 0.000 seconds

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


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

Your simulation uses code contributions which should be cited:
- OpenKIM: https://doi.org/10.1007/s11837-011-0102-6
- OpenKIM potential: https://openkim.org/cite/MO_758825945924_004#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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.114 | 5.114 | 5.114 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0      4.20348            0      4.20348            0      4.20348   -2.4668049   -88216.468   -88216.468   -88216.468   -88216.468   -88216.468 -5.3324712e-12 -9.3552127e-13 -4.2285561e-12 
Loop time of 3.426e-06 on 1 procs for 0 steps with 2 atoms

87.6% 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   |            | 3.426e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        339.000 ave         339 max         339 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224.000 ave         224 max         224 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224
Ave neighs/atom = 112.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.23340245064015 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.9218310 3.9218310 3.9218310
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.9218310 3.9218310 3.9218310)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.9218310 3.9218310 3.9218310)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     3.921831            0     3.921831            0     3.921831   -3.4163652   -133454.05   -133454.05   -133454.05   -133454.05   -133454.05 -2.7415171e-12 9.6759426e-13 7.8329059e-13 
Loop time of 2.452e-06 on 1 procs for 0 steps with 2 atoms

81.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.452e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        557.000 ave         557 max         557 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      272.000 ave         272 max         272 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 272
Ave neighs/atom = 136.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.708182617849 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.7472770 3.7472770 3.7472770
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.7472770 3.7472770 3.7472770)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.7472770 3.7472770 3.7472770)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     3.747277            0     3.747277            0     3.747277   -4.1391341   -168626.43   -168626.43   -168626.43   -168626.43   -168626.43 -4.19914e-12 -1.6717331e-11 -2.0018541e-11 
Loop time of 2.491e-06 on 1 procs for 0 steps with 2 atoms

80.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.491e-06  |            |       |100.00

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

Total # of neighbors = 336
Ave neighs/atom = 168.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.06956705452543 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.6204530 3.6204530 3.6204530
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6204530 3.6204530 3.6204530)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6204530 3.6204530 3.6204530)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     3.620453            0     3.620453            0     3.620453    -4.731393   -199633.45   -199633.45   -199633.45   -199633.45   -199633.45 -8.5617415e-12 5.0879952e-12 -5.7981182e-12 
Loop time of 2.364e-06 on 1 procs for 0 steps with 2 atoms

84.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.364e-06  |            |       |100.00

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

Total # of neighbors = 336
Ave neighs/atom = 168.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.36569649303603 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.5207860 3.5207860 3.5207860
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.5207860 3.5207860 3.5207860)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.5207860 3.5207860 3.5207860)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     3.520786            0     3.520786            0     3.520786   -5.2338288   -222819.77   -222819.77   -222819.77   -222819.77   -222819.77 5.4130327e-12 -7.5782458e-12 -7.0051012e-12 
Loop time of 2.362e-06 on 1 procs for 0 steps with 2 atoms

127.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.362e-06  |            |       |100.00

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

Total # of neighbors = 360
Ave neighs/atom = 180.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.61691439922298 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.4386710 3.4386710 3.4386710
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.4386710 3.4386710 3.4386710)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.4386710 3.4386710 3.4386710)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.115 | 5.115 | 5.115 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     3.438671            0     3.438671            0     3.438671   -5.6656672   -240938.43   -240938.43   -240938.43   -240938.43   -240938.43 -1.801575e-11 -1.1500688e-11 -1.4798805e-11 
Loop time of 2.329e-06 on 1 procs for 0 steps with 2 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.329e-06  |            |       |100.00

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

Total # of neighbors = 360
Ave neighs/atom = 180.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.83283360748788 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.3688420 3.3688420 3.3688420
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.3688420 3.3688420 3.3688420)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.3688420 3.3688420 3.3688420)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.152 | 5.152 | 5.152 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     3.368842            0     3.368842            0     3.368842   -6.0411571   -254501.78   -254501.78   -254501.78   -254501.78   -254501.78 -9.8591264e-12 7.2148815e-12 5.6337865e-12 
Loop time of 2.279e-06 on 1 procs for 0 steps with 2 atoms

87.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.279e-06  |            |       |100.00

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

Total # of neighbors = 516
Ave neighs/atom = 258.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.02057852712042 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.3080970 3.3080970 3.3080970
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.3080970 3.3080970 3.3080970)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.3080970 3.3080970 3.3080970)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.152 | 5.152 | 5.152 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     3.308097            0     3.308097            0     3.308097    -6.370439   -265665.75   -265665.75   -265665.75   -265665.75   -265665.75 4.6831249e-12 4.2224897e-13 -4.9902151e-13 
Loop time of 2.395e-06 on 1 procs for 0 steps with 2 atoms

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

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

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

Total # of neighbors = 516
Ave neighs/atom = 258.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.18521947574874 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.2543420 3.2543420 3.2543420
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.2543420 3.2543420 3.2543420)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.2543420 3.2543420 3.2543420)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.152 | 5.152 | 5.152 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     3.254342            0     3.254342            0     3.254342   -6.6618028   -271575.97   -271575.97   -271575.97   -271575.97   -271575.97 -5.9472071e-13 1.5684499e-11 7.6608092e-12 
Loop time of 2.48e-06 on 1 procs for 0 steps with 2 atoms

80.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.48e-06   |            |       |100.00

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

Total # of neighbors = 516
Ave neighs/atom = 258.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.33090141562618 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.2061340 3.2061340 3.2061340
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.2061340 3.2061340 3.2061340)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.2061340 3.2061340 3.2061340)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.152 | 5.152 | 5.152 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     3.206134            0     3.206134            0     3.206134   -6.9189253   -273846.45   -273846.45   -273846.45   -273846.45   -273846.45 6.5990277e-12 2.9516418e-13 1.0457245e-11 
Loop time of 2.454e-06 on 1 procs for 0 steps with 2 atoms

81.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.454e-06  |            |       |100.00

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

Total # of neighbors = 516
Ave neighs/atom = 258.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.45946265881255 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.1624330 3.1624330 3.1624330
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1624330 3.1624330 3.1624330)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1624330 3.1624330 3.1624330)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.152 | 5.152 | 5.152 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     3.162433            0     3.162433            0     3.162433    -7.145891   -272654.12   -272654.12   -272654.12   -272654.12   -272654.12 2.1859474e-12 8.7877282e-14 7.9089553e-13 
Loop time of 2.28e-06 on 1 procs for 0 steps with 2 atoms

87.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.28e-06   |            |       |100.00

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

Total # of neighbors = 564
Ave neighs/atom = 282.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.57294550149934 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.1224680 3.1224680 3.1224680
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1224680 3.1224680 3.1224680)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1224680 3.1224680 3.1224680)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.152 | 5.152 | 5.152 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     3.122468            0     3.122468            0     3.122468   -7.3463402    -270943.3    -270943.3    -270943.3    -270943.3    -270943.3 7.4291243e-12 2.2675376e-11 3.4475245e-11 
Loop time of 3.204e-06 on 1 procs for 0 steps with 2 atoms

93.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 3.204e-06  |            |       |100.00

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

Total # of neighbors = 564
Ave neighs/atom = 282.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.67317009562046 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.0856520 3.0856520 3.0856520
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0856520 3.0856520 3.0856520)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0856520 3.0856520 3.0856520)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.152 | 5.152 | 5.152 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     3.085652            0     3.085652            0     3.085652    -7.524121   -263722.72   -263722.72   -263722.72   -263722.72   -263722.72 8.2185386e-13 -8.6797227e-12 1.5609311e-12 
Loop time of 2.292e-06 on 1 procs for 0 steps with 2 atoms

43.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.292e-06  |            |       |100.00

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

Total # of neighbors = 612
Ave neighs/atom = 306.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.76206048310384 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.0515230 3.0515230 3.0515230
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0515230 3.0515230 3.0515230)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0515230 3.0515230 3.0515230)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.152 | 5.152 | 5.152 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     3.051523            0     3.051523            0     3.051523   -7.6799252   -253450.83   -253450.83   -253450.83   -253450.83   -253450.83 2.4966429e-11 3.6312582e-11 2.4159482e-11 
Loop time of 2.181e-06 on 1 procs for 0 steps with 2 atoms

91.7% CPU use with 1 MPI tasks x 1 OpenMP threads

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

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

Total # of neighbors = 660
Ave neighs/atom = 330.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.83996257601383 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

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

Lattice spacing in x,y,z = 3.0197160 3.0197160 3.0197160
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0197160 3.0197160 3.0197160)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0197160 3.0197160 3.0197160)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.152 | 5.152 | 5.152 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     3.019716            0     3.019716            0     3.019716   -7.8155808   -240217.42   -240217.42   -240217.42   -240217.42   -240217.42 -5.0467561e-13 1.2667358e-11 -1.6528126e-11 
Loop time of 2.188e-06 on 1 procs for 0 steps with 2 atoms

91.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.188e-06  |            |       |100.00

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

Total # of neighbors = 660
Ave neighs/atom = 330.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.90779038275364 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 = 2.9899340 2.9899340 2.9899340
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9899340 2.9899340 2.9899340)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9899340 2.9899340 2.9899340)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.152 | 5.152 | 5.152 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.989934            0     2.989934            0     2.989934   -7.9326505   -224099.81   -224099.81   -224099.81   -224099.81   -224099.81 -1.6000143e-11 -1.6403071e-11 -1.4895341e-11 
Loop time of 2.25e-06 on 1 procs for 0 steps with 2 atoms

88.9% CPU use with 1 MPI tasks x 1 OpenMP threads

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

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

Total # of neighbors = 660
Ave neighs/atom = 330.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.96632525514817 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 = 2.9619370 2.9619370 2.9619370
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9619370 2.9619370 2.9619370)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9619370 2.9619370 2.9619370)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.152 | 5.152 | 5.152 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.961937            0     2.961937            0     2.961937   -8.0324644   -205167.99   -205167.99   -205167.99   -205167.99   -205167.99 -1.1564831e-11 2.1471813e-11 2.639188e-11 
Loop time of 2.325e-06 on 1 procs for 0 steps with 2 atoms

86.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.325e-06  |            |       |100.00

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

Total # of neighbors = 660
Ave neighs/atom = 330.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.01623217502557 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 = 2.9355210 2.9355210 2.9355210
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9355210 2.9355210 2.9355210)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9355210 2.9355210 2.9355210)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.152 | 5.152 | 5.152 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.935521            0     2.935521            0     2.935521   -8.1161952    -183480.9    -183480.9    -183480.9    -183480.9    -183480.9 2.099919e-11 5.1364924e-11 2.1919363e-11 
Loop time of 2.293e-06 on 1 procs for 0 steps with 2 atoms

87.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.293e-06  |            |       |100.00

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

Total # of neighbors = 660
Ave neighs/atom = 330.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.05809760041435 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 = 2.9105170 2.9105170 2.9105170
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9105170 2.9105170 2.9105170)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9105170 2.9105170 2.9105170)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.152 | 5.152 | 5.152 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.910517            0     2.910517            0     2.910517   -8.1848605   -159092.15   -159092.15   -159092.15   -159092.15   -159092.15 1.5570497e-11 -2.2207334e-11 5.0727412e-12 
Loop time of 2.28e-06 on 1 procs for 0 steps with 2 atoms

87.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.28e-06   |            |       |100.00

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

Total # of neighbors = 676
Ave neighs/atom = 338.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.09243026740403 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 = 2.8867820 2.8867820 2.8867820
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8867820 2.8867820 2.8867820)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8867820 2.8867820 2.8867820)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.155 | 5.155 | 5.155 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.886782            0     2.886782            0     2.886782   -8.2393576   -132050.06   -132050.06   -132050.06   -132050.06   -132050.06 -8.043848e-12 -2.9518178e-11 -5.0833653e-12 
Loop time of 2.277e-06 on 1 procs for 0 steps with 2 atoms

87.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.277e-06  |            |       |100.00

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

Total # of neighbors = 676
Ave neighs/atom = 338.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.11967879158291 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 = 2.8641940 2.8641940 2.8641940
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8641940 2.8641940 2.8641940)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8641940 2.8641940 2.8641940)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.155 | 5.155 | 5.155 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.864194            0     2.864194            0     2.864194   -8.2807163   -103778.42   -103778.42   -103778.42   -103778.42   -103778.42 1.0113452e-11 -1.5436322e-11 -5.2341552e-11 
Loop time of 2.095e-06 on 1 procs for 0 steps with 2 atoms

95.5% CPU use with 1 MPI tasks x 1 OpenMP threads

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

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

Total # of neighbors = 676
Ave neighs/atom = 338.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.14035816938772 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 = 2.8426470 2.8426470 2.8426470
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8426470 2.8426470 2.8426470)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8426470 2.8426470 2.8426470)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.155 | 5.155 | 5.155 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.842647            0     2.842647            0     2.842647   -8.3096624   -71703.935   -71703.935   -71703.935   -71703.935   -71703.935 -6.5882444e-11 -4.5434082e-11 -9.740196e-12 
Loop time of 2.2e-06 on 1 procs for 0 steps with 2 atoms

90.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.2e-06    |            |       |100.00

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

Total # of neighbors = 676
Ave neighs/atom = 338.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.15483119830989 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 = 2.8220490 2.8220490 2.8220490
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8220490 2.8220490 2.8220490)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8220490 2.8220490 2.8220490)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.155 | 5.155 | 5.155 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.822049            0     2.822049            0     2.822049   -8.3266121    -37102.18    -37102.18    -37102.18    -37102.18    -37102.18 -1.2953914e-11 3.4378883e-11 1.7436771e-11 
Loop time of 2.234e-06 on 1 procs for 0 steps with 2 atoms

89.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.234e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1239.00 ave        1239 max        1239 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      772.000 ave         772 max         772 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 772
Ave neighs/atom = 386.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.16330605527456 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 = 2.8023200 2.8023200 2.8023200
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8023200 2.8023200 2.8023200)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8023200 2.8023200 2.8023200)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.155 | 5.155 | 5.155 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0      2.80232            0      2.80232            0      2.80232   -8.3321437   -5.5289663   -5.5289663   -5.5289663   -5.5289663   -5.5289663 -1.1019271e-11 -5.9674563e-11 -4.3508755e-11 
Loop time of 2.321e-06 on 1 procs for 0 steps with 2 atoms

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

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

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

Total # of neighbors = 820
Ave neighs/atom = 410.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.16607187269422 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 = 2.7823750 2.7823750 2.7823750
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7823750 2.7823750 2.7823750)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7823750 2.7823750 2.7823750)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.155 | 5.155 | 5.155 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.782375            0     2.782375            0     2.782375   -8.3261834    41793.262    41793.262    41793.262    41793.262    41793.262 -6.5225105e-11 2.4838442e-11 1.0135375e-10 
Loop time of 2.187e-06 on 1 procs for 0 steps with 2 atoms

91.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.187e-06  |            |       |100.00

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

Total # of neighbors = 820
Ave neighs/atom = 410.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.16309171565692 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 = 2.7618210 2.7618210 2.7618210
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7618210 2.7618210 2.7618210)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7618210 2.7618210 2.7618210)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.155 | 5.155 | 5.155 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.761821            0     2.761821            0     2.761821   -8.3068701    89802.474    89802.474    89802.474    89802.474    89802.474 3.8590455e-11 -1.5607695e-10 -7.5333846e-11 
Loop time of 2.257e-06 on 1 procs for 0 steps with 2 atoms

88.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.257e-06  |            |       |100.00

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

Total # of neighbors = 820
Ave neighs/atom = 410.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.15343505282751 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 = 2.7406210 2.7406210 2.7406210
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7406210 2.7406210 2.7406210)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7406210 2.7406210 2.7406210)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.155 | 5.155 | 5.155 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.740621            0     2.740621            0     2.740621    -8.272521    138806.14    138806.14    138806.14    138806.14    138806.14 8.1433106e-13 3.4429748e-12 -1.4345729e-11 
Loop time of 2.311e-06 on 1 procs for 0 steps with 2 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.311e-06  |            |       |100.00

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

Total # of neighbors = 820
Ave neighs/atom = 410.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.13626047965128 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 = 2.7187310 2.7187310 2.7187310
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7187310 2.7187310 2.7187310)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7187310 2.7187310 2.7187310)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.155 | 5.155 | 5.155 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.718731            0     2.718731            0     2.718731   -8.2207058    201855.17    201855.17    201855.17    201855.17    201855.17 -3.2581934e-11 -3.2622993e-11 -1.3519439e-10 
Loop time of 2.224e-06 on 1 procs for 0 steps with 2 atoms

45.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.224e-06  |            |       |100.00

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

Total # of neighbors = 820
Ave neighs/atom = 410.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.11035291678111 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 = 2.6961070 2.6961070 2.6961070
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6961070 2.6961070 2.6961070)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6961070 2.6961070 2.6961070)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.155 | 5.155 | 5.155 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.696107            0     2.696107            0     2.696107   -8.1477702    270599.35    270599.35    270599.35    270599.35    270599.35 1.2145766e-10 9.475169e-11 1.3192555e-10 
Loop time of 2.213e-06 on 1 procs for 0 steps with 2 atoms

90.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.213e-06  |            |       |100.00

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

Total # of neighbors = 916
Ave neighs/atom = 458.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.07388512029181 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 = 2.6726970 2.6726970 2.6726970
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6726970 2.6726970 2.6726970)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6726970 2.6726970 2.6726970)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.155 | 5.155 | 5.155 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.672697            0     2.672697            0     2.672697    -8.049301    354746.86    354746.86    354746.86    354746.86    354746.86 -3.6667095e-12 -2.464793e-10 -2.6109155e-10 
Loop time of 2.394e-06 on 1 procs for 0 steps with 2 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.394e-06  |            |       |100.00

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

Total # of neighbors = 916
Ave neighs/atom = 458.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.02465048954308 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 = 2.6484440 2.6484440 2.6484440
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6484440 2.6484440 2.6484440)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6484440 2.6484440 2.6484440)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.155 | 5.155 | 5.155 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.648444            0     2.648444            0     2.648444   -7.9198691    452753.86    452753.86    452753.86    452753.86    452753.86 3.7318998e-11 -2.2961797e-10 -3.2391132e-10 
Loop time of 2.29e-06 on 1 procs for 0 steps with 2 atoms

87.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.29e-06   |            |       |100.00

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

Total # of neighbors = 916
Ave neighs/atom = 458.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.95993454104189 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 = 2.6232850 2.6232850 2.6232850
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6232850 2.6232850 2.6232850)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6232850 2.6232850 2.6232850)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.155 | 5.155 | 5.155 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.623285            0     2.623285            0     2.623285   -7.7533646    567345.51    567345.51    567345.51    567345.51    567345.51 7.8374592e-12 -3.5972446e-10 -1.8844543e-10 
Loop time of 2.189e-06 on 1 procs for 0 steps with 2 atoms

91.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.189e-06  |            |       |100.00

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

Total # of neighbors = 1060
Ave neighs/atom = 530.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.87668229099248 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 = 2.5971500 2.5971500 2.5971500
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5971500 2.5971500 2.5971500)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5971500 2.5971500 2.5971500)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.155 | 5.155 | 5.155 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0      2.59715            0      2.59715            0      2.59715   -7.5423071    701904.73    701904.73    701904.73    701904.73    701904.73 2.4353304e-11 2.0412749e-10 1.8681443e-11 
Loop time of 2.191e-06 on 1 procs for 0 steps with 2 atoms

91.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.191e-06  |            |       |100.00

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

Total # of neighbors = 1060
Ave neighs/atom = 530.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.77115354245583 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 = 2.5699610 2.5699610 2.5699610
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5699610 2.5699610 2.5699610)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5699610 2.5699610 2.5699610)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.155 | 5.155 | 5.155 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.569961            0     2.569961            0     2.569961   -7.2775686    856969.54    856969.54    856969.54    856969.54    856969.54 -8.6292218e-11 7.847352e-11 3.5343786e-10 
Loop time of 2.197e-06 on 1 procs for 0 steps with 2 atoms

182.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.197e-06  |            |       |100.00

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

Total # of neighbors = 1060
Ave neighs/atom = 530.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.63878431806751 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 = 2.5416280 2.5416280 2.5416280
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5416280 2.5416280 2.5416280)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5416280 2.5416280 2.5416280)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.155 | 5.155 | 5.155 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.541628            0     2.541628            0     2.541628   -6.9488946    1044695.1    1044695.1    1044695.1    1044695.1    1044695.1 4.5462156e-11 3.0808889e-11 -3.9670677e-10 
Loop time of 2.094e-06 on 1 procs for 0 steps with 2 atoms

95.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.094e-06  |            |       |100.00

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

Total # of neighbors = 1060
Ave neighs/atom = 530.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.47444729308415 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 = 2.5120520 2.5120520 2.5120520
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5120520 2.5120520 2.5120520)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5120520 2.5120520 2.5120520)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      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) = 5.209 | 5.209 | 5.209 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.512052            0     2.512052            0     2.512052   -6.5409428    1268672.3    1268672.3    1268672.3    1268672.3    1268672.3 -7.6706611e-11 -2.5598092e-10 -1.1589273e-10 
Loop time of 2.344e-06 on 1 procs for 0 steps with 2 atoms

85.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.344e-06  |            |       |100.00

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

Total # of neighbors = 1072
Ave neighs/atom = 536.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.27047140198554 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 = 2.4811170 2.4811170 2.4811170
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4811170 2.4811170 2.4811170)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4811170 2.4811170 2.4811170)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      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) = 5.209 | 5.209 | 5.209 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.481117            0     2.481117            0     2.481117   -6.0356737    1537684.6    1537684.6    1537684.6    1537684.6    1537684.6 -2.1040237e-11 -7.360671e-11 -3.4337667e-10 
Loop time of 2.284e-06 on 1 procs for 0 steps with 2 atoms

87.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.284e-06  |            |       |100.00

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

Total # of neighbors = 1072
Ave neighs/atom = 536.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.01783685965894 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 = 2.4486940 2.4486940 2.4486940
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4486940 2.4486940 2.4486940)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4486940 2.4486940 2.4486940)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      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) = 5.209 | 5.209 | 5.209 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.448694            0     2.448694            0     2.448694   -5.4119473    1854003.3    1854003.3    1854003.3    1854003.3    1854003.3 -2.1218685e-10 6.378856e-10 5.5253763e-10 
Loop time of 2.368e-06 on 1 procs for 0 steps with 2 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.368e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1727.00 ave        1727 max        1727 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1216.00 ave        1216 max        1216 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1216
Ave neighs/atom = 608.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.70597362898001 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 = 2.4146310 2.4146310 2.4146310
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4146310 2.4146310 2.4146310)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4146310 2.4146310 2.4146310)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      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) = 5.209 | 5.209 | 5.209 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.414631            0     2.414631            0     2.414631   -4.6404411    2249177.1    2249177.1    2249177.1    2249177.1    2249177.1 -1.3191271e-10 -4.8313292e-10 -5.1291847e-10 
Loop time of 1.3004e-05 on 1 procs for 0 steps with 2 atoms

115.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.3e-05    |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1727.00 ave        1727 max        1727 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1216.00 ave        1216 max        1216 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1216
Ave neighs/atom = 608.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.32022054922787 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 = 2.3787540 2.3787540 2.3787540
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3787540 2.3787540 2.3787540)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3787540 2.3787540 2.3787540)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      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) = 5.209 | 5.209 | 5.209 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.378754            0     2.378754            0     2.378754   -3.6816113    2735661.5    2735661.5    2735661.5    2735661.5    2735661.5 -7.9845814e-11 2.3289115e-10 -2.6244456e-10 
Loop time of 2.317e-06 on 1 procs for 0 steps with 2 atoms

43.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.317e-06  |            |       |100.00

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

Total # of neighbors = 1288
Ave neighs/atom = 644.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.84080565179661 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 = 2.3408590 2.3408590 2.3408590
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3408590 2.3408590 2.3408590)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3408590 2.3408590 2.3408590)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      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) = 5.209 | 5.209 | 5.209 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.340859            0     2.340859            0     2.340859   -2.4851584    3339176.8    3339176.8    3339176.8    3339176.8    3339176.8 5.496715e-10 9.3886584e-10 7.1996687e-10 
Loop time of 2.236e-06 on 1 procs for 0 steps with 2 atoms

44.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.236e-06  |            |       |100.00

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

Total # of neighbors = 1288
Ave neighs/atom = 644.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.24257920275842 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 = 2.3007040 2.3007040 2.3007040
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3007040 2.3007040 2.3007040)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3007040 2.3007040 2.3007040)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      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) = 5.209 | 5.209 | 5.209 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.300704            0     2.300704            0     2.300704  -0.98411946    4100602.3    4100602.3    4100602.3    4100602.3    4100602.3 9.3066264e-10 1.2948201e-09 6.4701066e-11 
Loop time of 2.15e-06 on 1 procs for 0 steps with 2 atoms

93.0% CPU use with 1 MPI tasks x 1 OpenMP threads

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

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

Total # of neighbors = 1448
Ave neighs/atom = 724.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.49205972891023 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 = 2.2580050 2.2580050 2.2580050
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2580050 2.2580050 2.2580050)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2580050 2.2580050 2.2580050)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      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) = 5.209 | 5.209 | 5.209 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.258005            0     2.258005            0     2.258005   0.91137884    5060315.5    5060315.5    5060315.5    5060315.5    5060315.5 1.6521902e-10 2.619061e-10 7.6036963e-10 
Loop time of 2.135e-06 on 1 procs for 0 steps with 2 atoms

46.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.135e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1727.00 ave        1727 max        1727 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1496.00 ave        1496 max        1496 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1496
Ave neighs/atom = 748.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.45568941867347 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 = 2.2124160 2.2124160 2.2124160
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2124160 2.2124160 2.2124160)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2124160 2.2124160 2.2124160)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      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) = 5.219 | 5.219 | 5.219 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.212416            0     2.212416            0     2.212416    3.3241415    6308809.3    6308809.3    6308809.3    6308809.3    6308809.3 -2.9027046e-10 1.4143627e-09 1.8116881e-09 
Loop time of 2.225e-06 on 1 procs for 0 steps with 2 atoms

179.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.225e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2329.00 ave        2329 max        2329 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1640.00 ave        1640 max        1640 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1640
Ave neighs/atom = 820.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 1.66207072935079 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 = 2.1635160 2.1635160 2.1635160
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1635160 2.1635160 2.1635160)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1635160 2.1635160 2.1635160)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      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) = 5.219 | 5.219 | 5.219 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.163516            0     2.163516            0     2.163516    6.4354377    7950221.9    7950221.9    7950221.9    7950221.9    7950221.9 -4.1122622e-10 5.735966e-10 8.6437439e-10 
Loop time of 2.146e-06 on 1 procs for 0 steps with 2 atoms

93.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.146e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2329.00 ave        2329 max        2329 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1736.00 ave        1736 max        1736 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1736
Ave neighs/atom = 868.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 3.21771883086621 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 = 2.1107890 2.1107890 2.1107890
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1107890 2.1107890 2.1107890)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1107890 2.1107890 2.1107890)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      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) = 5.219 | 5.219 | 5.219 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.110789            0     2.110789            0     2.110789    10.497648     10154116     10154116     10154116     10154116     10154116 6.7386167e-10 -5.3109147e-10 -8.0163357e-11 
Loop time of 2.115e-06 on 1 procs for 0 steps with 2 atoms

189.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.115e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2329.00 ave        2329 max        2329 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1880.00 ave        1880 max        1880 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1880
Ave neighs/atom = 940.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 5.2488239543419 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 = 2.0535820 2.0535820 2.0535820
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0535820 2.0535820 2.0535820)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0535820 2.0535820 2.0535820)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      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) = 5.219 | 5.219 | 5.219 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     2.053582            0     2.053582            0     2.053582    15.888956     13218814     13218814     13218814     13218814     13218814 2.0457207e-09 1.0596484e-08 1.0139486e-08 
Loop time of 2.235e-06 on 1 procs for 0 steps with 2 atoms

89.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.235e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2329.00 ave        2329 max        2329 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      1928.00 ave        1928 max        1928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1928
Ave neighs/atom = 964.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 7.9444779619027 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 = 1.9910640 1.9910640 1.9910640
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9910640 1.9910640 1.9910640)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9910640 1.9910640 1.9910640)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.278 | 5.278 | 5.278 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     1.991064            0     1.991064            0     1.991064    23.203217     17580183     17580183     17580183     17580183     17580183 2.4427397e-09 4.2839233e-09 4.3545225e-09 
Loop time of 2.4e-06 on 1 procs for 0 steps with 2 atoms

208.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.4e-06    |            |       |100.00

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

Total # of neighbors = 2132
Ave neighs/atom = 1066.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 11.6016083140899 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 = 1.9221470 1.9221470 1.9221470
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9221470 1.9221470 1.9221470)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9221470 1.9221470 1.9221470)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.278 | 5.278 | 5.278 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     1.922147            0     1.922147            0     1.922147     33.36999     23992814     23992814     23992814     23992814     23992814 -5.4905916e-10 8.7763366e-10 3.1872191e-09 
Loop time of 2.179e-06 on 1 procs for 0 steps with 2 atoms

183.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.179e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3057.00 ave        3057 max        3057 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      2484.00 ave        2484 max        2484 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2484
Ave neighs/atom = 1242.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 16.6849949869047 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 = 1.8453700 1.8453700 1.8453700
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8453700 1.8453700 1.8453700)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8453700 1.8453700 1.8453700)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.278 | 5.278 | 5.278 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0      1.84537            0      1.84537            0      1.84537    47.956073     33892360     33892360     33892360     33892360     33892360 -2.7305094e-09 -2.351067e-09 1.6994333e-10 
Loop time of 2.313e-06 on 1 procs for 0 steps with 2 atoms

43.2% CPU use with 1 MPI tasks x 1 OpenMP threads

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

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3057.00 ave        3057 max        3057 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      2820.00 ave        2820 max        2820 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2820
Ave neighs/atom = 1410.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 23.9780362747487 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 = 1.7587060 1.7587060 1.7587060
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7587060 1.7587060 1.7587060)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7587060 1.7587060 1.7587060)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.291 | 5.291 | 5.291 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     1.758706            0     1.758706            0     1.758706    69.753038     50132572     50132572     50132572     50132572     50132572 -2.8977041e-09 -1.003146e-09 -3.4187562e-10 
Loop time of 2.188e-06 on 1 procs for 0 steps with 2 atoms

91.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.188e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3923.00 ave        3923 max        3923 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      3276.00 ave        3276 max        3276 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 3276
Ave neighs/atom = 1638.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 34.8765188506753 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 = 1.6592260 1.6592260 1.6592260
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6592260 1.6592260 1.6592260)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6592260 1.6592260 1.6592260)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      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) = 5.362 | 5.362 | 5.362 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     1.659226            0     1.659226            0     1.659226    104.13024     79024847     79024847     79024847     79024847     79024847 -7.7515558e-09 2.4327681e-09 4.2908564e-09 
Loop time of 2.197e-06 on 1 procs for 0 steps with 2 atoms

45.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.197e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4939.00 ave        4939 max        4939 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:      3832.00 ave        3832 max        3832 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 3832
Ave neighs/atom = 1916.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 52.065122489952 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 = 1.5424730 1.5424730 1.5424730
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5424730 1.5424730 1.5424730)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5424730 1.5424730 1.5424730)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      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) = 5.379 | 5.379 | 5.379 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0     1.542473            0     1.542473            0     1.542473    162.55371 1.3626569e+08 1.3626569e+08 1.3626569e+08 1.3626569e+08 1.3626569e+08 1.1206827e-08 1.1647336e-08 3.730101e-08 
Loop time of 2.338e-06 on 1 procs for 0 steps with 2 atoms

85.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.338e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        6117.00 ave        6117 max        6117 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:      4840.00 ave        4840 max        4840 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 4840
Ave neighs/atom = 2420.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 81.2768546389105 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 = 1.4011600 1.4011600 1.4011600
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.4011600 1.4011600 1.4011600)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.4011600 1.4011600 1.4011600)
  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 = 10.13295
  ghost atom cutoff = 10.13295
  binsize = 5.066475, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.13295
      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) = 5.464 | 5.464 | 5.464 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_pxy_metal v_pxz_metal v_pyz_metal 
       0        2            0      1.40116            0      1.40116            0      1.40116    273.31075 2.7039815e+08 2.7039815e+08 2.7039815e+08 2.7039815e+08 2.7039815e+08 8.7802437e-09 1.7532323e-08 2.5538313e-08 
Loop time of 2.338e-06 on 1 procs for 0 steps with 2 atoms

85.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.338e-06  |            |       |100.00

Nlocal:        2.00000 ave           2 max           2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        7469.00 ave        7469 max        7469 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:      6284.00 ave        6284 max        6284 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 6284
Ave neighs/atom = 3142.0000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 136.655374706433 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: 0:00:08