LAMMPS (23 Jun 2022)
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 = 3.94218 3.94218 3.94218
Created orthogonal box = (0 0 0) to (3.94218 3.94218 3.94218)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (3.94218 3.94218 3.94218)
  create_atoms CPU = 0.002 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_227263111062_001#item-citation
The log file lists these citations in BibTeX format.

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.082 | 5.082 | 5.082 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              3.94218        0              3.94218        0              3.94218        0              0              0              0              0              0              0              0              0            
Loop time of 1.5215e-05 on 1 procs for 0 steps with 1 atoms

177.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.522e-05  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:             63 ave          63 max          63 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           18 ave          18 max          18 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 18
Ave neighs/atom = 18
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0 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 = 3.678039 3.678039 3.678039
Created orthogonal box = (0 0 0) to (3.678039 3.678039 3.678039)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (3.678039 3.678039 3.678039)
  create_atoms CPU = 0.001 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.082 | 5.082 | 5.082 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              3.678039       0              3.678039       0              3.678039      -2.244769      -118776.09     -118776.09     -118776.09     -118776.09     -118776.09      0              0              0            
Loop time of 1.1717e-05 on 1 procs for 0 steps with 1 atoms

204.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.172e-05  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:             63 ave          63 max          63 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           18 ave          18 max          18 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 18
Ave neighs/atom = 18
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.24476895103143 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 = 3.514336 3.514336 3.514336
Created orthogonal box = (0 0 0) to (3.514336 3.514336 3.514336)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (3.514336 3.514336 3.514336)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.082 | 5.082 | 5.082 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              3.514336       0              3.514336       0              3.514336      -2.7773769     -151058.37     -151058.37     -151058.37     -151058.37     -151058.37      0              0              0            
Loop time of 7.878e-06 on 1 procs for 0 steps with 1 atoms

266.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.878e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:             63 ave          63 max          63 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           18 ave          18 max          18 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 18
Ave neighs/atom = 18
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.77737687453802 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 = 3.395396 3.395396 3.395396
Created orthogonal box = (0 0 0) to (3.395396 3.395396 3.395396)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (3.395396 3.395396 3.395396)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.082 | 5.082 | 5.082 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              3.395396       0              3.395396       0              3.395396      -3.2119805     -176267.41     -176267.41     -176267.41     -176267.41     -176267.41      0              0              0            
Loop time of 1.0023e-05 on 1 procs for 0 steps with 1 atoms

99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.002e-05  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:             63 ave          63 max          63 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           18 ave          18 max          18 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 18
Ave neighs/atom = 18
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.21198047135169 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 = 3.301924 3.301924 3.301924
Created orthogonal box = (0 0 0) to (3.301924 3.301924 3.301924)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (3.301924 3.301924 3.301924)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.082 | 5.082 | 5.082 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              3.301924       0              3.301924       0              3.301924      -3.5770237     -195690.14     -195690.14     -195690.14     -195690.14     -195690.14      0              0              0            
Loop time of 1.0174e-05 on 1 procs for 0 steps with 1 atoms

117.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.017e-05  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:             63 ave          63 max          63 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           26 ave          26 max          26 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 26
Ave neighs/atom = 26
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.57702366925347 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 = 3.224914 3.224914 3.224914
Created orthogonal box = (0 0 0) to (3.224914 3.224914 3.224914)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (3.224914 3.224914 3.224914)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.082 | 5.082 | 5.082 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              3.224914       0              3.224914       0              3.224914      -3.8888373     -210141.54     -210141.54     -210141.54     -210141.54     -210141.54      0              0              0            
Loop time of 6.485e-06 on 1 procs for 0 steps with 1 atoms

185.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.485e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:             63 ave          63 max          63 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           26 ave          26 max          26 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 26
Ave neighs/atom = 26
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.88883726262834 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 = 3.159426 3.159426 3.159426
Created orthogonal box = (0 0 0) to (3.159426 3.159426 3.159426)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (3.159426 3.159426 3.159426)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.082 | 5.082 | 5.082 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              3.159426       0              3.159426       0              3.159426      -4.1579364     -220189.85     -220189.85     -220189.85     -220189.85     -220189.85      0              0              0            
Loop time of 6.595e-06 on 1 procs for 0 steps with 1 atoms

212.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.595e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:             63 ave          63 max          63 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           26 ave          26 max          26 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 26
Ave neighs/atom = 26
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.15793640620218 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 = 3.102457 3.102457 3.102457
Created orthogonal box = (0 0 0) to (3.102457 3.102457 3.102457)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (3.102457 3.102457 3.102457)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.082 | 5.082 | 5.082 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              3.102457       0              3.102457       0              3.102457      -4.3916066     -226256.44     -226256.44     -226256.44     -226256.44     -226256.44      0              0              0            
Loop time of 9.472e-06 on 1 procs for 0 steps with 1 atoms

190.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 9.472e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:             63 ave          63 max          63 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           26 ave          26 max          26 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 26
Ave neighs/atom = 26
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.39160660369518 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 = 3.052043 3.052043 3.052043
Created orthogonal box = (0 0 0) to (3.052043 3.052043 3.052043)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (3.052043 3.052043 3.052043)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.082 | 5.082 | 5.082 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              3.052043       0              3.052043       0              3.052043      -4.5951742     -228668.01     -228668.01     -228668.01     -228668.01     -228668.01      0              0              0            
Loop time of 6.385e-06 on 1 procs for 0 steps with 1 atoms

94.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.385e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:             63 ave          63 max          63 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           26 ave          26 max          26 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 26
Ave neighs/atom = 26
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.59517416695665 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 = 3.006831 3.006831 3.006831
Created orthogonal box = (0 0 0) to (3.006831 3.006831 3.006831)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (3.006831 3.006831 3.006831)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.082 | 5.082 | 5.082 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              3.006831       0              3.006831       0              3.006831      -4.7726784     -227686.09     -227686.09     -227686.09     -227686.09     -227686.09      0              0              0            
Loop time of 6.365e-06 on 1 procs for 0 steps with 1 atoms

94.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.365e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:             63 ave          63 max          63 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           26 ave          26 max          26 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 26
Ave neighs/atom = 26
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.77267839041577 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 = 2.965847 2.965847 2.965847
Created orthogonal box = (0 0 0) to (2.965847 2.965847 2.965847)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.965847 2.965847 2.965847)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.082 | 5.082 | 5.082 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.965847       0              2.965847       0              2.965847      -4.9272876     -223525.6      -223525.6      -223525.6      -223525.6      -223525.6       0              0              0            
Loop time of 6.434e-06 on 1 procs for 0 steps with 1 atoms

93.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.434e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:             63 ave          63 max          63 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           26 ave          26 max          26 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 26
Ave neighs/atom = 26
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.92728758595595 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 = 2.928367 2.928367 2.928367
Created orthogonal box = (0 0 0) to (2.928367 2.928367 2.928367)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.928367 2.928367 2.928367)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.082 | 5.082 | 5.082 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.928367       0              2.928367       0              2.928367      -5.0615438     -216366.47     -216366.47     -216366.47     -216366.47     -216366.47      0              0              0            
Loop time of 9.331e-06 on 1 procs for 0 steps with 1 atoms

85.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 9.331e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:             63 ave          63 max          63 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           26 ave          26 max          26 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 26
Ave neighs/atom = 26
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.06154380653844 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 = 2.893839 2.893839 2.893839
Created orthogonal box = (0 0 0) to (2.893839 2.893839 2.893839)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.893839 2.893839 2.893839)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.893839       0              2.893839       0              2.893839      -5.1775241     -206362.01     -206362.01     -206362.01     -206362.01     -206362.01      0              0              0            
Loop time of 6.304e-06 on 1 procs for 0 steps with 1 atoms

190.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.304e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           32 ave          32 max          32 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 32
Ave neighs/atom = 32
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.17752410404545 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 = 2.861832 2.861832 2.861832
Created orthogonal box = (0 0 0) to (2.861832 2.861832 2.861832)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.861832 2.861832 2.861832)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.861832       0              2.861832       0              2.861832      -5.2769565     -193644.64     -193644.64     -193644.64     -193644.64     -193644.64      0              0              0            
Loop time of 8.58e-06 on 1 procs for 0 steps with 1 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   |            | 8.58e-06   |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           32 ave          32 max          32 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 32
Ave neighs/atom = 32
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.27695649838622 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 = 2.832002 2.832002 2.832002
Created orthogonal box = (0 0 0) to (2.832002 2.832002 2.832002)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.832002 2.832002 2.832002)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.832002       0              2.832002       0              2.832002      -5.3613016     -178329.51     -178329.51     -178329.51     -178329.51     -178329.51      0              0              0            
Loop time of 6.405e-06 on 1 procs for 0 steps with 1 atoms

93.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.405e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           32 ave          32 max          32 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 32
Ave neighs/atom = 32
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.36130162018548 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 = 2.804072 2.804072 2.804072
Created orthogonal box = (0 0 0) to (2.804072 2.804072 2.804072)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.804072 2.804072 2.804072)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.804072       0              2.804072       0              2.804072      -5.4318024     -160518.63     -160518.63     -160518.63     -160518.63     -160518.63      0              0              0            
Loop time of 6.374e-06 on 1 procs for 0 steps with 1 atoms

109.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.374e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           32 ave          32 max          32 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 32
Ave neighs/atom = 32
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.43180236247327 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 = 2.777814 2.777814 2.777814
Created orthogonal box = (0 0 0) to (2.777814 2.777814 2.777814)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.777814 2.777814 2.777814)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.777814       0              2.777814       0              2.777814      -5.4895329     -140302.24     -140302.24     -140302.24     -140302.24     -140302.24      0              0              0            
Loop time of 6.455e-06 on 1 procs for 0 steps with 1 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.455e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           32 ave          32 max          32 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 32
Ave neighs/atom = 32
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.4895329292991 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 = 2.75304 2.75304 2.75304
Created orthogonal box = (0 0 0) to (2.75304 2.75304 2.75304)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.75304 2.75304 2.75304)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.75304        0              2.75304        0              2.75304       -5.5354255     -117762.3      -117762.3      -117762.3      -117762.3      -117762.3       0              0              0            
Loop time of 6.735e-06 on 1 procs for 0 steps with 1 atoms

89.1% CPU use with 1 MPI tasks x 1 OpenMP threads

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

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           32 ave          32 max          32 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 32
Ave neighs/atom = 32
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.53542552986074 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 = 2.729591 2.729591 2.729591
Created orthogonal box = (0 0 0) to (2.729591 2.729591 2.729591)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.729591 2.729591 2.729591)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.729591       0              2.729591       0              2.729591      -5.5703011     -92971.886     -92971.886     -92971.886     -92971.886     -92971.886      0              0              0            
Loop time of 7.117e-06 on 1 procs for 0 steps with 1 atoms

196.7% 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   |            | 7.117e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           32 ave          32 max          32 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 32
Ave neighs/atom = 32
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.57030105992176 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 = 2.707332 2.707332 2.707332
Created orthogonal box = (0 0 0) to (2.707332 2.707332 2.707332)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.707332 2.707332 2.707332)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.707332       0              2.707332       0              2.707332      -5.5948848     -65996.859     -65996.859     -65996.859     -65996.859     -65996.859      0              0              0            
Loop time of 6.425e-06 on 1 procs for 0 steps with 1 atoms

108.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.425e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           32 ave          32 max          32 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 32
Ave neighs/atom = 32
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.59488480394875 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 = 2.686148 2.686148 2.686148
Created orthogonal box = (0 0 0) to (2.686148 2.686148 2.686148)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.686148 2.686148 2.686148)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.686148       0              2.686148       0              2.686148      -5.6107535     -195005.36     -195005.36     -195005.36     -195005.36     -195005.36      0              0              0            
Loop time of 9.462e-06 on 1 procs for 0 steps with 1 atoms

190.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 9.462e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           32 ave          32 max          32 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 32
Ave neighs/atom = 32
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.61075345999856 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 = 2.66594 2.66594 2.66594
Created orthogonal box = (0 0 0) to (2.66594 2.66594 2.66594)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.66594 2.66594 2.66594)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.66594        0              2.66594        0              2.66594       -5.8576918     -970646.68     -970646.68     -970646.68     -970646.68     -970646.68      0              0              0            
Loop time of 5.963e-06 on 1 procs for 0 steps with 1 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.963e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           32 ave          32 max          32 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 32
Ave neighs/atom = 32
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.85769178481645 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 = 2.646623 2.646623 2.646623
Created orthogonal box = (0 0 0) to (2.646623 2.646623 2.646623)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.646623 2.646623 2.646623)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.646623       0              2.646623       0              2.646623      -6.0174772     -298404.18     -298404.18     -298404.18     -298404.18     -298404.18      0              0              0            
Loop time of 6.535e-06 on 1 procs for 0 steps with 1 atoms

91.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.535e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           32 ave          32 max          32 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 32
Ave neighs/atom = 32
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -6.01747718215266 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 = 2.62812 2.62812 2.62812
Created orthogonal box = (0 0 0) to (2.62812 2.62812 2.62812)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.62812 2.62812 2.62812)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.62812        0              2.62812        0              2.62812       -6.0455022      16.092542      16.092542      16.092542      16.092542      16.092542      0              0              4.8995367e-12
Loop time of 6.034e-06 on 1 procs for 0 steps with 1 atoms

99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.034e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           32 ave          32 max          32 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 32
Ave neighs/atom = 32
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -6.04550222102592 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 = 2.609415 2.609415 2.609415
Created orthogonal box = (0 0 0) to (2.609415 2.609415 2.609415)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.609415 2.609415 2.609415)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.609415       0              2.609415       0              2.609415      -6.0372529      57148.408      57148.408      57148.408      57148.408      57148.408      0              0              0            
Loop time of 8.54e-06 on 1 procs for 0 steps with 1 atoms

117.1% 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   |            | 8.54e-06   |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           32 ave          32 max          32 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 32
Ave neighs/atom = 32
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -6.03725294236469 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 = 2.590139 2.590139 2.590139
Created orthogonal box = (0 0 0) to (2.590139 2.590139 2.590139)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.590139 2.590139 2.590139)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.590139       0              2.590139       0              2.590139      -6.0179767      101758.68      101758.68      101758.68      101758.68      101758.68      0              0              0            
Loop time of 7.958e-06 on 1 procs for 0 steps with 1 atoms

213.6% CPU use with 1 MPI tasks x 1 OpenMP threads

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

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           56 ave          56 max          56 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 56
Ave neighs/atom = 56
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -6.01797674983958 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 = 2.570256 2.570256 2.570256
Created orthogonal box = (0 0 0) to (2.570256 2.570256 2.570256)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.570256 2.570256 2.570256)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.570256       0              2.570256       0              2.570256      -5.9865578      152780.78      152780.78      152780.78      152780.78      152780.78      0              0              0            
Loop time of 6.545e-06 on 1 procs for 0 steps with 1 atoms

290.3% CPU use with 1 MPI tasks x 1 OpenMP threads

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

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           56 ave          56 max          56 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 56
Ave neighs/atom = 56
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.98655776344923 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 = 2.549727 2.549727 2.549727
Created orthogonal box = (0 0 0) to (2.549727 2.549727 2.549727)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.549727 2.549727 2.549727)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.549727       0              2.549727       0              2.549727      -5.9408515      211268.72      211268.72      211268.72      211268.72      211268.72      0              0              0            
Loop time of 6.826e-06 on 1 procs for 0 steps with 1 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.826e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           56 ave          56 max          56 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 56
Ave neighs/atom = 56
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.94085149734246 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 = 2.52851 2.52851 2.52851
Created orthogonal box = (0 0 0) to (2.52851 2.52851 2.52851)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.52851 2.52851 2.52851)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.52851        0              2.52851        0              2.52851       -5.8783083      278483.32      278483.32      278483.32      278483.32      278483.32      0              0              0            
Loop time of 7.157e-06 on 1 procs for 0 steps with 1 atoms

321.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.157e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           56 ave          56 max          56 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 56
Ave neighs/atom = 56
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.87830829063517 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 = 2.506555 2.506555 2.506555
Created orthogonal box = (0 0 0) to (2.506555 2.506555 2.506555)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.506555 2.506555 2.506555)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.506555       0              2.506555       0              2.506555      -5.7958676      355957.37      355957.37      355957.37      355957.37      355957.37      0              0              0            
Loop time of 9.812e-06 on 1 procs for 0 steps with 1 atoms

214.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 9.812e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           56 ave          56 max          56 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 56
Ave neighs/atom = 56
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.79586763523577 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 = 2.483809 2.483809 2.483809
Created orthogonal box = (0 0 0) to (2.483809 2.483809 2.483809)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.483809 2.483809 2.483809)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.483809       0              2.483809       0              2.483809      -5.6898564      445544.1       445544.1       445544.1       445544.1       445544.1       0              0              0            
Loop time of 1.0374e-05 on 1 procs for 0 steps with 1 atoms

96.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.037e-05  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           56 ave          56 max          56 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 56
Ave neighs/atom = 56
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.68985641371388 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 = 2.460214 2.460214 2.460214
Created orthogonal box = (0 0 0) to (2.460214 2.460214 2.460214)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.460214 2.460214 2.460214)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.460214       0              2.460214       0              2.460214      -5.5558435      549503.19      549503.19      549503.19      549503.19      549503.19      0              0              0            
Loop time of 6.655e-06 on 1 procs for 0 steps with 1 atoms

120.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.655e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           56 ave          56 max          56 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 56
Ave neighs/atom = 56
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.55584351226913 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 = 2.435704 2.435704 2.435704
Created orthogonal box = (0 0 0) to (2.435704 2.435704 2.435704)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.435704 2.435704 2.435704)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.435704       0              2.435704       0              2.435704      -5.3884413      670619.44      670619.44      670619.44      670619.44      670619.44      0              0              0            
Loop time of 7.417e-06 on 1 procs for 0 steps with 1 atoms

296.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 7.417e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           56 ave          56 max          56 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 56
Ave neighs/atom = 56
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.3884413187715 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 = 2.410205 2.410205 2.410205
Created orthogonal box = (0 0 0) to (2.410205 2.410205 2.410205)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.410205 2.410205 2.410205)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.410205       0              2.410205       0              2.410205      -5.1810649      812345.48      812345.48      812345.48      812345.48      812345.48      0              0              0            
Loop time of 7.127e-06 on 1 procs for 0 steps with 1 atoms

140.3% 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   |            | 7.127e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           56 ave          56 max          56 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 56
Ave neighs/atom = 56
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.1810649299115 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 = 2.383634 2.383634 2.383634
Created orthogonal box = (0 0 0) to (2.383634 2.383634 2.383634)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.383634 2.383634 2.383634)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.383634       0              2.383634       0              2.383634      -4.9256164      978995.02      978995.02      978995.02      978995.02      978995.02      0              0             -6.5670735e-12
Loop time of 9.171e-06 on 1 procs for 0 steps with 1 atoms

98.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 9.171e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           56 ave          56 max          56 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 56
Ave neighs/atom = 56
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.92561640648509 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 = 2.355896 2.355896 2.355896
Created orthogonal box = (0 0 0) to (2.355896 2.355896 2.355896)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.355896 2.355896 2.355896)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.355896       0              2.355896       0              2.355896      -4.61205        1176016.2      1176016.2      1176016.2      1176016.2      1176016.2      0              0              0            
Loop time of 6.315e-06 on 1 procs for 0 steps with 1 atoms

79.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.315e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           80 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.61204999770667 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 = 2.326884 2.326884 2.326884
Created orthogonal box = (0 0 0) to (2.326884 2.326884 2.326884)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.326884 2.326884 2.326884)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.326884       0              2.326884       0              2.326884      -4.2278296      1410341.2      1410341.2      1410341.2      1410341.2      1410341.2      0              0              0            
Loop time of 6.254e-06 on 1 procs for 0 steps with 1 atoms

191.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.254e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           80 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.22782958052777 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 = 2.296476 2.296476 2.296476
Created orthogonal box = (0 0 0) to (2.296476 2.296476 2.296476)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.296476 2.296476 2.296476)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.296476       0              2.296476       0              2.296476      -3.7571723      1690889        1690889        1690889        1690889        1690889        0              0              0            
Loop time of 6.445e-06 on 1 procs for 0 steps with 1 atoms

124.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.445e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           80 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.75717231825673 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 = 2.264531 2.264531 2.264531
Created orthogonal box = (0 0 0) to (2.264531 2.264531 2.264531)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.264531 2.264531 2.264531)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.264531       0              2.264531       0              2.264531      -3.1800038      2029280.1      2029280.1      2029280.1      2029280.1      2029280.1      0              0              0            
Loop time of 6.475e-06 on 1 procs for 0 steps with 1 atoms

216.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.475e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           80 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.18000375937265 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 = 2.230884 2.230884 2.230884
Created orthogonal box = (0 0 0) to (2.230884 2.230884 2.230884)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.230884 2.230884 2.230884)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.230884       0              2.230884       0              2.230884      -2.470496       2440866.5      2440866.5      2440866.5      2440866.5      2440866.5      0              0              0            
Loop time of 1.2629e-05 on 1 procs for 0 steps with 1 atoms

142.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.263e-05  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           80 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.47049604030706 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 = 2.195344 2.195344 2.195344
Created orthogonal box = (0 0 0) to (2.195344 2.195344 2.195344)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.195344 2.195344 2.195344)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.195344       0              2.195344       0              2.195344      -1.5951044      2946180.3      2946180.3      2946180.3      2946180.3      2946180.3      0              0              2.1014684e-11
Loop time of 5.963e-06 on 1 procs for 0 steps with 1 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.963e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           80 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.59510435174759 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 = 2.157686 2.157686 2.157686
Created orthogonal box = (0 0 0) to (2.157686 2.157686 2.157686)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.157686 2.157686 2.157686)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.157686       0              2.157686       0              2.157686      -0.5155336      3567420        3567420        3567420        3567420        3567420        0              0              5.533576e-13 
Loop time of 1.0775e-05 on 1 procs for 0 steps with 1 atoms

92.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.077e-05  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           80 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.515533599589257 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 = 2.117641 2.117641 2.117641
Created orthogonal box = (0 0 0) to (2.117641 2.117641 2.117641)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.117641 2.117641 2.117641)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.117641       0              2.117641       0              2.117641       0.83850814     4359721.7      4359721.7      4359721.7      4359721.7      4359721.7      0              0             -1.9901807e-11
Loop time of 6.274e-06 on 1 procs for 0 steps with 1 atoms

255.0% CPU use with 1 MPI tasks x 1 OpenMP threads

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

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           80 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.838508138741539 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 = 2.074886 2.074886 2.074886
Created orthogonal box = (0 0 0) to (2.074886 2.074886 2.074886)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.074886 2.074886 2.074886)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.074886       0              2.074886       0              2.074886       2.542127       5362299.1      5362299.1      5362299.1      5362299.1      5362299.1      0              0             -1.6801639e-11
Loop time of 6.345e-06 on 1 procs for 0 steps with 1 atoms

220.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.345e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           80 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 2.54212701705389 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 = 2.029026 2.029026 2.029026
Created orthogonal box = (0 0 0) to (2.029026 2.029026 2.029026)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.029026 2.029026 2.029026)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.029026       0              2.029026       0              2.029026       4.7061927      6659300.5      6659300.5      6659300.5      6659300.5      6659300.5      0              3.3271913e-13 -3.3271913e-13
Loop time of 6.445e-06 on 1 procs for 0 steps with 1 atoms

201.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.445e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           92 ave          92 max          92 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 92
Ave neighs/atom = 92
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 4.70619266373018 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 = 1.979576 1.979576 1.979576
Created orthogonal box = (0 0 0) to (1.979576 1.979576 1.979576)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.979576 1.979576 1.979576)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.979576       0              1.979576       0              1.979576       7.4876501      8368493        8368493        8368493        8368493        8368493        0              0             -7.1656249e-13
Loop time of 6.405e-06 on 1 procs for 0 steps with 1 atoms

187.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.405e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            215 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:           92 ave          92 max          92 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 92
Ave neighs/atom = 92
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 7.48765013019639 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 = 1.925926 1.925926 1.925926
Created orthogonal box = (0 0 0) to (1.925926 1.925926 1.925926)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.925926 1.925926 1.925926)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.925926       0              1.925926       0              1.925926       11.113972      10670525       10670525       10670525       10670525       10670525       0              3.890647e-13   0            
Loop time of 5.954e-06 on 1 procs for 0 steps with 1 atoms

184.7% 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   |            | 5.954e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            511 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:          122 ave         122 max         122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 122
Ave neighs/atom = 122
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 11.1139722314036 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 = 1.867294 1.867294 1.867294
Created orthogonal box = (0 0 0) to (1.867294 1.867294 1.867294)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.867294 1.867294 1.867294)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.867294       0              1.867294       0              1.867294       15.924582      13852923       13852923       13852923       13852923       13852923       0              0             -5.1225211e-12
Loop time of 6.365e-06 on 1 procs for 0 steps with 1 atoms

235.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.365e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            511 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:          122 ave         122 max         122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 122
Ave neighs/atom = 122
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 15.9245818522093 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 = 1.802661 1.802661 1.802661
Created orthogonal box = (0 0 0) to (1.802661 1.802661 1.802661)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.802661 1.802661 1.802661)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.802661       0              1.802661       0              1.802661       22.443015      18393490       18393490       18393490       18393490       18393490       0              2.3722936e-13  2.0876183e-11
Loop time of 6.756e-06 on 1 procs for 0 steps with 1 atoms

192.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.756e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            511 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:          146 ave         146 max         146 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 146
Ave neighs/atom = 146
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 22.4430152428152 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 = 1.730657 1.730657 1.730657
Created orthogonal box = (0 0 0) to (1.730657 1.730657 1.730657)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.730657 1.730657 1.730657)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.730657       0              1.730657       0              1.730657       31.511224      25130162       25130162       25130162       25130162       25130162       0              0              3.3511018e-11
Loop time of 6.595e-06 on 1 procs for 0 steps with 1 atoms

136.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.595e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            511 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:          170 ave         170 max         170 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 170
Ave neighs/atom = 170
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 31.511224308499 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 = 1.64938 1.64938 1.64938
Created orthogonal box = (0 0 0) to (1.64938 1.64938 1.64938)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.64938 1.64938 1.64938)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.64938        0              1.64938        0              1.64938        44.553328      35633392       35633392       35633392       35633392       35633392       0              0             -4.8314005e-11
Loop time of 6.365e-06 on 1 procs for 0 steps with 1 atoms

204.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.365e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            511 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:          178 ave         178 max         178 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 178
Ave neighs/atom = 178
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 44.5533284746136 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 = 1.556084 1.556084 1.556084
Created orthogonal box = (0 0 0) to (1.556084 1.556084 1.556084)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.556084 1.556084 1.556084)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.149 | 5.149 | 5.149 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.556084       0              1.556084       0              1.556084       64.135079      53106844       53106844       53106844       53106844       53106844       0              0             -6.4911878e-11
Loop time of 6.555e-06 on 1 procs for 0 steps with 1 atoms

106.8% CPU use with 1 MPI tasks x 1 OpenMP threads

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

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            511 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:          202 ave         202 max         202 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 202
Ave neighs/atom = 202
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 64.1350792503351 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 = 1.446589 1.446589 1.446589
Created orthogonal box = (0 0 0) to (1.446589 1.446589 1.446589)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.446589 1.446589 1.446589)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.194 | 5.194 | 5.194 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.446589       0              1.446589       0              1.446589       95.275134      84865940       84865940       84865940       84865940       84865940       0              0             -1.7628135e-10
Loop time of 6.786e-06 on 1 procs for 0 steps with 1 atoms

206.3% CPU use with 1 MPI tasks x 1 OpenMP threads

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

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            999 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:          256 ave         256 max         256 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 256
Ave neighs/atom = 256
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 95.2751339123501 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 = 1.31406 1.31406 1.31406
Created orthogonal box = (0 0 0) to (1.31406 1.31406 1.31406)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.31406 1.31406 1.31406)
  create_atoms CPU = 0.000 seconds

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

WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 5.8
  ghost atom cutoff = 5.8
  binsize = 2.9, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:970)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.194 | 5.194 | 5.194 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.31406        0              1.31406        0              1.31406        148.94794      1.5047173e+08  1.5047173e+08  1.5047173e+08  1.5047173e+08  1.5047173e+08  0              0             -3.9196294e-11
Loop time of 6.374e-06 on 1 procs for 0 steps with 1 atoms

94.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.374e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            999 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:          364 ave         364 max         364 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 364
Ave neighs/atom = 364
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 148.947938039124 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task
Total wall time: 0:00:09