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 = 3.66566 3.66566 3.66566
Created orthogonal box = (0 0 0) to (3.66566 3.66566 3.66566)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (3.66566 3.66566 3.66566)
  create_atoms CPU = 0.001 seconds

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


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

Your simulation uses code contributions which should be cited:
- OpenKIM: https://doi.org/10.1007/s11837-011-0102-6
- OpenKIM potential: https://openkim.org/cite/MO_956135237832_000#item-citation
The log file lists these citations in BibTeX format.

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

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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.097 | 5.097 | 5.097 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           8   0              3.66566        0              3.66566        0              3.66566       -62.553486     -261540.74     -261540.74     -261540.74     -261540.74     -261540.74      1.5548277e-09  1.8346804e-09  1.6938748e-09
Loop time of 8.89e-06 on 1 procs for 0 steps with 8 atoms

270.0% 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   |            | 8.89e-06   |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            856 ave         856 max         856 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:         1904 ave        1904 max        1904 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1904
Ave neighs/atom = 238
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.45662723804436 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 = 3.420047 3.420047 3.420047
Created orthogonal box = (0 0 0) to (3.420047 3.420047 3.420047)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (3.420047 3.420047 3.420047)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.135 | 5.135 | 5.135 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           8   0              3.420047       0              3.420047       0              3.420047      -61.656851      594695.24      594695.24      594695.24      594695.24      594695.24      2.3722452e-10  1.4545056e-09  8.3090787e-10
Loop time of 6.635e-06 on 1 procs for 0 steps with 8 atoms

256.2% 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   |            | 6.635e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1158 ave        1158 max        1158 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:         2336 ave        2336 max        2336 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2336
Ave neighs/atom = 292
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.344547894301235 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 = 3.267825 3.267825 3.267825
Created orthogonal box = (0 0 0) to (3.267825 3.267825 3.267825)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (3.267825 3.267825 3.267825)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.135 | 5.135 | 5.135 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           8   0              3.267825       0              3.267825       0              3.267825      -59.731557      515291.3       515291.3       515291.3       515291.3       515291.3      -1.4993493e-10  3.1222247e-10  4.4366334e-10
Loop time of 9.612e-06 on 1 procs for 0 steps with 8 atoms

187.3% 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   |            | 9.612e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1158 ave        1158 max        1158 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:         2624 ave        2624 max        2624 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2624
Ave neighs/atom = 328
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.103886157189486 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 = 3.157228 3.157228 3.157228
Created orthogonal box = (0 0 0) to (3.157228 3.157228 3.157228)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (3.157228 3.157228 3.157228)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.135 | 5.135 | 5.135 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           8   0              3.157228       0              3.157228       0              3.157228      -59.121476      102488.9       102488.9       102488.9       102488.9       102488.9       3.1712234e-10  5.7599148e-10  5.328342e-10 
Loop time of 6.656e-06 on 1 procs for 0 steps with 8 atoms

240.4% 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   |            | 6.656e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1158 ave        1158 max        1158 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:         2848 ave        2848 max        2848 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2848
Ave neighs/atom = 356
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0276260714800349 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 = 3.070312 3.070312 3.070312
Created orthogonal box = (0 0 0) to (3.070312 3.070312 3.070312)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (3.070312 3.070312 3.070312)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.144 | 5.144 | 5.144 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           8   0              3.070312       0              3.070312       0              3.070312      -59.101652     -41725.911     -41725.911     -41725.911     -41725.911     -41725.911     -7.428884e-11   3.824753e-10   4.366825e-10 
Loop time of 6.535e-06 on 1 procs for 0 steps with 8 atoms

275.4% 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   |            | 6.535e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1522 ave        1522 max        1522 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:         3328 ave        3328 max        3328 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 3328
Ave neighs/atom = 416
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0251479759768101 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 = 2.998704 2.998704 2.998704
Created orthogonal box = (0 0 0) to (2.998704 2.998704 2.998704)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.998704 2.998704 2.998704)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.144 | 5.144 | 5.144 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           8   0              2.998704       0              2.998704       0              2.998704      -59.118297     -12087.124     -12087.124     -12087.124     -12087.124     -12087.124      3.0908653e-11  6.9058099e-11  1.0412828e-10
Loop time of 8.75e-06 on 1 procs for 0 steps with 8 atoms

285.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 8.75e-06   |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1522 ave        1522 max        1522 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:         3328 ave        3328 max        3328 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 3328
Ave neighs/atom = 416
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0272286978338725 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 = 2.937809 2.937809 2.937809
Created orthogonal box = (0 0 0) to (2.937809 2.937809 2.937809)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.937809 2.937809 2.937809)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.144 | 5.144 | 5.144 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           8   0              2.937809       0              2.937809       0              2.937809      -59.146748     -3157.2033     -3157.2033     -3157.2033     -3157.2033     -3157.2033      2.599999e-10   7.8126713e-10  4.7731847e-10
Loop time of 8.64e-06 on 1 procs for 0 steps with 8 atoms

196.8% 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   |            | 8.64e-06   |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1522 ave        1522 max        1522 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:         3520 ave        3520 max        3520 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 3520
Ave neighs/atom = 440
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0307850439134727 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 = 2.884836 2.884836 2.884836
Created orthogonal box = (0 0 0) to (2.884836 2.884836 2.884836)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.884836 2.884836 2.884836)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.144 | 5.144 | 5.144 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           8   0              2.884836       0              2.884836       0              2.884836      -59.018846      211961.75      211961.75      211961.75      211961.75      211961.75      2.5156998e-10 -1.6012785e-10 -4.2407971e-10
Loop time of 1.0484e-05 on 1 procs for 0 steps with 8 atoms

181.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.048e-05  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1522 ave        1522 max        1522 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:         3712 ave        3712 max        3712 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 3712
Ave neighs/atom = 464
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0147973047756977 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 = 2.837959 2.837959 2.837959
Created orthogonal box = (0 0 0) to (2.837959 2.837959 2.837959)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.837959 2.837959 2.837959)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.144 | 5.144 | 5.144 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           8   0              2.837959       0              2.837959       0              2.837959      -58.927285      48832.998      48832.998      48832.998      48832.998      48832.998      3.3353394e-11  6.4640116e-11  1.419529e-10 
Loop time of 8.199e-06 on 1 procs for 0 steps with 8 atoms

207.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 8.199e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1522 ave        1522 max        1522 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:         3904 ave        3904 max        3904 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 3904
Ave neighs/atom = 488
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.00335220227970989 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 = 2.795918 2.795918 2.795918
Created orthogonal box = (0 0 0) to (2.795918 2.795918 2.795918)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.795918 2.795918 2.795918)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.154 | 5.154 | 5.154 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           8   0              2.795918       0              2.795918       0              2.795918      -58.914399      5098.3968      5098.3968      5098.3968      5098.3968      5098.3968      1.3395564e-11 -7.9885567e-11 -6.4212665e-11
Loop time of 5.823e-06 on 1 procs for 0 steps with 8 atoms

188.9% 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   |            | 5.823e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1954 ave        1954 max        1954 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:         4192 ave        4192 max        4192 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 4192
Ave neighs/atom = 524
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.00174143520219783 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 = 2.757808 2.757808 2.757808
Created orthogonal box = (0 0 0) to (2.757808 2.757808 2.757808)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.757808 2.757808 2.757808)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.154 | 5.154 | 5.154 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           8   0              2.757808       0              2.757808       0              2.757808      -58.913512     -253.7007      -253.7007      -253.7007      -253.7007      -253.7007      -4.021865e-11  -3.3403057e-11 -4.5338336e-11
Loop time of 6.505e-06 on 1 procs for 0 steps with 8 atoms

184.5% 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   |            | 6.505e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1954 ave        1954 max        1954 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:         4192 ave        4192 max        4192 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 4192
Ave neighs/atom = 524
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0016305877324605 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 = 2.722957 2.722957 2.722957
Created orthogonal box = (0 0 0) to (2.722957 2.722957 2.722957)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.722957 2.722957 2.722957)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.154 | 5.154 | 5.154 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           8   0              2.722957       0              2.722957       0              2.722957      -58.913957     -1490.1507     -1490.1507     -1490.1507     -1490.1507     -1490.1507      4.058608e-11  -3.0068144e-12 -1.3658246e-11
Loop time of 6.555e-06 on 1 procs for 0 steps with 8 atoms

228.8% 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:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1954 ave        1954 max        1954 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:         4768 ave        4768 max        4768 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 4768
Ave neighs/atom = 596
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.00168620105653527 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 = 2.690851 2.690851 2.690851
Created orthogonal box = (0 0 0) to (2.690851 2.690851 2.690851)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.690851 2.690851 2.690851)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.154 | 5.154 | 5.154 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           8   0              2.690851       0              2.690851       0              2.690851      -58.914891     -2869.7142     -2869.7142     -2869.7142     -2869.7142     -2869.7142      3.1520627e-11  2.5069839e-10  2.6417659e-10
Loop time of 7.808e-06 on 1 procs for 0 steps with 8 atoms

153.7% 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   |            | 7.808e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1954 ave        1954 max        1954 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:         5056 ave        5056 max        5056 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 5056
Ave neighs/atom = 632
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0018028922927229 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 = 2.661089 2.661089 2.661089
Created orthogonal box = (0 0 0) to (2.661089 2.661089 2.661089)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.661089 2.661089 2.661089)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.154 | 5.154 | 5.154 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           8   0              2.661089       0              2.661089       0              2.661089      -58.916374     -4299.3336     -4299.3336     -4299.3336     -4299.3336     -4299.3336     -8.5020464e-11  1.7159072e-10  1.4480747e-10
Loop time of 8.279e-06 on 1 procs for 0 steps with 8 atoms

181.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 8.279e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1954 ave        1954 max        1954 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:         5056 ave        5056 max        5056 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 5056
Ave neighs/atom = 632
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.00198828709566001 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 = 2.633351 2.633351 2.633351
Created orthogonal box = (0 0 0) to (2.633351 2.633351 2.633351)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.633351 2.633351 2.633351)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.154 | 5.154 | 5.154 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           8   0              2.633351       0              2.633351       0              2.633351      -58.918067     -5081.8466     -5081.8466     -5081.8466     -5081.8466     -5081.8466      3.5848427e-11  3.0101097e-12  1.0818797e-10
Loop time of 6.214e-06 on 1 procs for 0 steps with 8 atoms

193.1% 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   |            | 6.214e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1954 ave        1954 max        1954 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:         5056 ave        5056 max        5056 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 5056
Ave neighs/atom = 632
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.00219991614769821 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 = 2.60738 2.60738 2.60738
Created orthogonal box = (0 0 0) to (2.60738 2.60738 2.60738)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.60738 2.60738 2.60738)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.154 | 5.154 | 5.154 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           8   0              2.60738        0              2.60738        0              2.60738       -58.920027     -7119.4151     -7119.4151     -7119.4151     -7119.4151     -7119.4151     -7.4066481e-12 -2.7475339e-10 -2.143071e-10 
Loop time of 8.45e-06 on 1 procs for 0 steps with 8 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   |            | 8.45e-06   |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1954 ave        1954 max        1954 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:         5248 ave        5248 max        5248 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 5248
Ave neighs/atom = 656
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.00244492744936053 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 = 2.582965 2.582965 2.582965
Created orthogonal box = (0 0 0) to (2.582965 2.582965 2.582965)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.582965 2.582965 2.582965)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.154 | 5.154 | 5.154 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           8   0              2.582965       0              2.582965       0              2.582965      -58.923117     -14893.628     -14893.628     -14893.628     -14893.628     -14893.628     -1.6516804e-11 -1.1253067e-10 -1.9108974e-10
Loop time of 6.485e-06 on 1 procs for 0 steps with 8 atoms

262.1% 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   |            | 6.485e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1954 ave        1954 max        1954 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:         5248 ave        5248 max        5248 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 5248
Ave neighs/atom = 656
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.00283114996427258 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 = 2.559928 2.559928 2.559928
Created orthogonal box = (0 0 0) to (2.559928 2.559928 2.559928)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.559928 2.559928 2.559928)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.154 | 5.154 | 5.154 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           8   0              2.559928       0              2.559928       0              2.559928      -58.929561     -28118.644     -28118.644     -28118.644     -28118.644     -28118.644     -5.840874e-11  -1.4004323e-10  9.0321106e-11
Loop time of 6.145e-06 on 1 procs for 0 steps with 8 atoms

195.3% 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   |            | 6.145e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1954 ave        1954 max        1954 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:         5248 ave        5248 max        5248 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 5248
Ave neighs/atom = 656
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0036366056483601 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 = 2.538124 2.538124 2.538124
Created orthogonal box = (0 0 0) to (2.538124 2.538124 2.538124)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.538124 2.538124 2.538124)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.165 | 5.165 | 5.165 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           8   0              2.538124       0              2.538124       0              2.538124      -58.935478     -13576.273     -13576.273     -13576.273     -13576.273     -13576.273      2.8214966e-11 -2.9990312e-10 -1.8167788e-10
Loop time of 6.345e-06 on 1 procs for 0 steps with 8 atoms

173.4% 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   |            | 6.345e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           2462 ave        2462 max        2462 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:         5632 ave        5632 max        5632 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 5632
Ave neighs/atom = 704
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.00437628993066053 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 = 2.517426 2.517426 2.517426
Created orthogonal box = (0 0 0) to (2.517426 2.517426 2.517426)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.517426 2.517426 2.517426)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.165 | 5.165 | 5.165 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           8   0              2.517426       0              2.517426       0              2.517426      -58.937403     -4060.8946     -4060.8946     -4060.8946     -4060.8946     -4060.8946     -5.838722e-13   2.9932637e-11 -8.5759802e-11
Loop time of 6.585e-06 on 1 procs for 0 steps with 8 atoms

182.2% 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   |            | 6.585e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           2462 ave        2462 max        2462 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:         5824 ave        5824 max        5824 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 5824
Ave neighs/atom = 728
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.00461692996238572 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 = 2.497728 2.497728 2.497728
Created orthogonal box = (0 0 0) to (2.497728 2.497728 2.497728)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.497728 2.497728 2.497728)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.165 | 5.165 | 5.165 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           8   0              2.497728       0              2.497728       0              2.497728      -58.938056     -2010.8381     -2010.8381     -2010.8381     -2010.8381     -2010.8381      2.0950705e-12  1.2164159e-10 -6.8460802e-12
Loop time of 6.154e-06 on 1 procs for 0 steps with 8 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.154e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           2462 ave        2462 max        2462 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:         5824 ave        5824 max        5824 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 5824
Ave neighs/atom = 728
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.00469858934064771 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 = 2.478938 2.478938 2.478938
Created orthogonal box = (0 0 0) to (2.478938 2.478938 2.478938)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.478938 2.478938 2.478938)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.165 | 5.165 | 5.165 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           8   0              2.478938       0              2.478938       0              2.478938      -58.938393     -1138.051      -1138.051      -1138.051      -1138.051      -1138.051      -8.4504947e-11  1.9223591e-10  1.3553747e-10
Loop time of 6.384e-06 on 1 procs for 0 steps with 8 atoms

188.0% 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   |            | 6.384e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           2462 ave        2462 max        2462 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:         5824 ave        5824 max        5824 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 5824
Ave neighs/atom = 728
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.00474059706271035 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 = 2.460975 2.460975 2.460975
Created orthogonal box = (0 0 0) to (2.460975 2.460975 2.460975)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.460975 2.460975 2.460975)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.165 | 5.165 | 5.165 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           8   0              2.460975       0              2.460975       0              2.460975      -58.93856      -509.08776     -509.08776     -509.08776     -509.08776     -509.08776      7.7590795e-12  4.6956999e-10  6.9040219e-10
Loop time of 6.274e-06 on 1 procs for 0 steps with 8 atoms

175.3% 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   |            | 6.274e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           2462 ave        2462 max        2462 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:         5920 ave        5920 max        5920 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 5920
Ave neighs/atom = 740
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.00476150997152303 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 = 2.44377 2.44377 2.44377
Created orthogonal box = (0 0 0) to (2.44377 2.44377 2.44377)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.44377 2.44377 2.44377)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.165 | 5.165 | 5.165 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           8   0              2.44377        0              2.44377        0              2.44377       -58.938608     -0.011682215   -0.011682215   -0.011682215   -0.011682215   -0.011682215    8.2942849e-11  2.7234945e-10  2.5829999e-10
Loop time of 6.405e-06 on 1 procs for 0 steps with 8 atoms

203.0% 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   |            | 6.405e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           2462 ave        2462 max        2462 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:         6400 ave        6400 max        6400 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 6400
Ave neighs/atom = 800
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.00476750235047252 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 = 2.426377 2.426377 2.426377
Created orthogonal box = (0 0 0) to (2.426377 2.426377 2.426377)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.426377 2.426377 2.426377)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.165 | 5.165 | 5.165 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           8   0              2.426377       0              2.426377       0              2.426377      -58.938521      913.23145      913.23145      913.23145      913.23145      913.23145     -5.2438435e-11 -3.477721e-10  -3.0102319e-10
Loop time of 6.265e-06 on 1 procs for 0 steps with 8 atoms

175.6% 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   |            | 6.265e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           2462 ave        2462 max        2462 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:         6400 ave        6400 max        6400 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 6400
Ave neighs/atom = 800
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.00475660468925998 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 = 2.408453 2.408453 2.408453
Created orthogonal box = (0 0 0) to (2.408453 2.408453 2.408453)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.408453 2.408453 2.408453)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.165 | 5.165 | 5.165 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           8   0              2.408453       0              2.408453       0              2.408453      -58.93825       1849.5276      1849.5276      1849.5276      1849.5276      1849.5276     -6.7812739e-11 -1.0394244e-10 -4.4253364e-10
Loop time of 6.305e-06 on 1 procs for 0 steps with 8 atoms

190.3% 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   |            | 6.305e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           2462 ave        2462 max        2462 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:         6400 ave        6400 max        6400 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 6400
Ave neighs/atom = 800
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.00472271904231025 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 = 2.389965 2.389965 2.389965
Created orthogonal box = (0 0 0) to (2.389965 2.389965 2.389965)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.389965 2.389965 2.389965)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.165 | 5.165 | 5.165 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           8   0              2.389965       0              2.389965       0              2.389965      -58.937788      2771.4975      2771.4975      2771.4975      2771.4975      2771.4975      2.5302022e-10 -5.2655576e-10 -3.4195919e-10
Loop time of 6.275e-06 on 1 procs for 0 steps with 8 atoms

175.3% 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   |            | 6.275e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           2462 ave        2462 max        2462 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:         6784 ave        6784 max        6784 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 6784
Ave neighs/atom = 848
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.00466506051068549 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 = 2.370877 2.370877 2.370877
Created orthogonal box = (0 0 0) to (2.370877 2.370877 2.370877)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.370877 2.370877 2.370877)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.165 | 5.165 | 5.165 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           8   0              2.370877       0              2.370877       0              2.370877      -58.937133      3763.9358      3763.9358      3763.9358      3763.9358      3763.9358     -1.8338529e-10 -1.5172781e-10 -4.5552885e-10
Loop time of 6.505e-06 on 1 procs for 0 steps with 8 atoms

184.5% 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   |            | 6.505e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           2462 ave        2462 max        2462 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:         7072 ave        7072 max        7072 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 7072
Ave neighs/atom = 884
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.00458313372513519 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 = 2.351147 2.351147 2.351147
Created orthogonal box = (0 0 0) to (2.351147 2.351147 2.351147)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.351147 2.351147 2.351147)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.165 | 5.165 | 5.165 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           8   0              2.351147       0              2.351147       0              2.351147      -58.935806      14811.737      14811.737      14811.737      14811.737      14811.737      3.9233736e-10 -1.7913618e-10 -3.1549646e-10
Loop time of 6.726e-06 on 1 procs for 0 steps with 8 atoms

193.3% 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   |            | 6.726e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           2462 ave        2462 max        2462 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:         7072 ave        7072 max        7072 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 7072
Ave neighs/atom = 884
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0044172320431981 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 = 2.330732 2.330732 2.330732
Created orthogonal box = (0 0 0) to (2.330732 2.330732 2.330732)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.330732 2.330732 2.330732)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.211 | 5.211 | 5.211 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           8   0              2.330732       0              2.330732       0              2.330732      -58.927016      35323.779      35323.779      35323.779      35323.779      35323.779     -4.2145792e-10 -9.348462e-10  -7.5166633e-10
Loop time of 6.234e-06 on 1 procs for 0 steps with 8 atoms

192.5% 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   |            | 6.234e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           3052 ave        3052 max        3052 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:         7312 ave        7312 max        7312 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 7312
Ave neighs/atom = 914
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.00331855144759796 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 = 2.309582 2.309582 2.309582
Created orthogonal box = (0 0 0) to (2.309582 2.309582 2.309582)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.309582 2.309582 2.309582)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.211 | 5.211 | 5.211 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           8   0              2.309582       0              2.309582       0              2.309582      -58.923482      14578.182      14578.182      14578.182      14578.182      14578.182     -2.0416159e-10 -6.8316829e-10 -4.8305341e-10
Loop time of 6.334e-06 on 1 procs for 0 steps with 8 atoms

189.5% 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   |            | 6.334e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           3052 ave        3052 max        3052 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:         7312 ave        7312 max        7312 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 7312
Ave neighs/atom = 914
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.00287679055184764 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 = 2.287643 2.287643 2.287643
Created orthogonal box = (0 0 0) to (2.287643 2.287643 2.287643)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.287643 2.287643 2.287643)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.211 | 5.211 | 5.211 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           8   0              2.287643       0              2.287643       0              2.287643      -58.911819      162103.76      162103.76      162103.76      162103.76      162103.76      6.402771e-10   1.4721623e-09  1.1983092e-09
Loop time of 6.675e-06 on 1 procs for 0 steps with 8 atoms

194.8% 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   |            | 6.675e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           3052 ave        3052 max        3052 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:         7536 ave        7536 max        7536 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 7536
Ave neighs/atom = 942
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.00141884520694813 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 = 2.264852 2.264852 2.264852
Created orthogonal box = (0 0 0) to (2.264852 2.264852 2.264852)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.264852 2.264852 2.264852)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.211 | 5.211 | 5.211 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           8   0              2.264852       0              2.264852       0              2.264852      -58.850995      127023.65      127023.65      127023.65      127023.65      127023.65      5.8992341e-10 -1.328732e-09  -1.6957472e-09
Loop time of 6.465e-06 on 1 procs for 0 steps with 8 atoms

185.6% 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   |            | 6.465e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           3052 ave        3052 max        3052 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:         8112 ave        8112 max        8112 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 8112
Ave neighs/atom = 1014
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.00618403882167762 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 = 2.241142 2.241142 2.241142
Created orthogonal box = (0 0 0) to (2.241142 2.241142 2.241142)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.241142 2.241142 2.241142)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.211 | 5.211 | 5.211 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           8   0              2.241142       0              2.241142       0              2.241142      -58.842771      583.39051      583.39051      583.39051      583.39051      583.39051      3.497657e-11   5.7726687e-10  4.0976831e-10
Loop time of 5.743e-06 on 1 procs for 0 steps with 8 atoms

209.0% 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   |            | 5.743e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           3052 ave        3052 max        3052 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:         8496 ave        8496 max        8496 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 8496
Ave neighs/atom = 1062
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.00721213960652722 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 = 2.216434 2.216434 2.216434
Created orthogonal box = (0 0 0) to (2.216434 2.216434 2.216434)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.216434 2.216434 2.216434)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.211 | 5.211 | 5.211 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           8   0              2.216434       0              2.216434       0              2.216434      -58.866273     -73196.051     -73196.051     -73196.051     -73196.051     -73196.051      1.9406758e-10  7.1231645e-10  5.7487871e-10
Loop time of 6.444e-06 on 1 procs for 0 steps with 8 atoms

170.7% 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   |            | 6.444e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           3052 ave        3052 max        3052 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:         8496 ave        8496 max        8496 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 8496
Ave neighs/atom = 1062
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.00427435598157722 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 = 2.190642 2.190642 2.190642
Created orthogonal box = (0 0 0) to (2.190642 2.190642 2.190642)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.190642 2.190642 2.190642)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.211 | 5.211 | 5.211 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           8   0              2.190642       0              2.190642       0              2.190642      -58.868337      1955.6319      1955.6319      1955.6319      1955.6319      1955.6319     -2.5436221e-12 -2.4050631e-11 -7.3471818e-12
Loop time of 6.455e-06 on 1 procs for 0 steps with 8 atoms

201.4% 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   |            | 6.455e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           3052 ave        3052 max        3052 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:         8784 ave        8784 max        8784 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 8784
Ave neighs/atom = 1098
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.00401629047623953 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 = 2.163665 2.163665 2.163665
Created orthogonal box = (0 0 0) to (2.163665 2.163665 2.163665)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.163665 2.163665 2.163665)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.211 | 5.211 | 5.211 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           8   0              2.163665       0              2.163665       0              2.163665      -58.868081      430.02773      430.02773      430.02773      430.02773      430.02773      1.4121947e-12  1.0061299e-11  7.4207233e-12
Loop time of 6.134e-06 on 1 procs for 0 steps with 8 atoms

211.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.134e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           3052 ave        3052 max        3052 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:         8784 ave        8784 max        8784 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 8784
Ave neighs/atom = 1098
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.00404830671023948 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 = 2.135391 2.135391 2.135391
Created orthogonal box = (0 0 0) to (2.135391 2.135391 2.135391)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.135391 2.135391 2.135391)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.225 | 5.225 | 5.225 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           8   0              2.135391       0              2.135391       0              2.135391      -58.868037      47.435222      47.435222      47.435222      47.435222      47.435222      6.7524307e-13 -2.3321556e-14 -4.3084148e-13
Loop time of 6.275e-06 on 1 procs for 0 steps with 8 atoms

191.2% 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   |            | 6.275e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           3728 ave        3728 max        3728 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:         9648 ave        9648 max        9648 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 9648
Ave neighs/atom = 1206
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.00405388273061469 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 = 2.105686 2.105686 2.105686
Created orthogonal box = (0 0 0) to (2.105686 2.105686 2.105686)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.105686 2.105686 2.105686)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.225 | 5.225 | 5.225 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           8   0              2.105686       0              2.105686       0              2.105686      -58.868033      2.5320521      2.5320521      2.5320521      2.5320521      2.5320521      6.3138025e-15  4.5913002e-14  5.1985794e-14
Loop time of 6.826e-06 on 1 procs for 0 steps with 8 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   |            | 6.826e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           3728 ave        3728 max        3728 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:         9840 ave        9840 max        9840 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 9840
Ave neighs/atom = 1230
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.00405439051265244 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 = 2.0744 2.0744 2.0744
Created orthogonal box = (0 0 0) to (2.0744 2.0744 2.0744)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.0744 2.0744 2.0744)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.225 | 5.225 | 5.225 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           8   0              2.0744         0              2.0744         0              2.0744        -58.868032      0.051174842    0.051174842    0.051174842    0.051174842    0.051174842    3.0823525e-16 -8.4989789e-16 -1.2176943e-15
Loop time of 6.585e-06 on 1 procs for 0 steps with 8 atoms

182.2% 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   |            | 6.585e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           3728 ave        3728 max        3728 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:        10320 ave       10320 max       10320 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 10320
Ave neighs/atom = 1290
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.00405441228686509 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 = 2.041353 2.041353 2.041353
Created orthogonal box = (0 0 0) to (2.041353 2.041353 2.041353)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.041353 2.041353 2.041353)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.225 | 5.225 | 5.225 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           8   0              2.041353       0              2.041353       0              2.041353      -58.868032      0.00027768884  0.00027768884  0.00027768884  0.00027768884  0.00027768884  1.4941041e-18  8.2987271e-18  9.0208598e-18
Loop time of 6.595e-06 on 1 procs for 0 steps with 8 atoms

182.0% 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   |            | 6.595e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           3728 ave        3728 max        3728 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:        10896 ave       10896 max       10896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 10896
Ave neighs/atom = 1362
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.00405441263365258 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 = 2.006337 2.006337 2.006337
Created orthogonal box = (0 0 0) to (2.006337 2.006337 2.006337)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.006337 2.006337 2.006337)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.225 | 5.225 | 5.225 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           8   0              2.006337       0              2.006337       0              2.006337      -58.868032     -1.1987436e-06 -1.1987436e-06 -1.1987436e-06 -1.1987436e-06 -1.1987436e-06  1.1468197e-20  3.1834898e-22 -1.9620736e-20
Loop time of 6.214e-06 on 1 procs for 0 steps with 8 atoms

209.2% 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   |            | 6.214e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           3728 ave        3728 max        3728 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:        10960 ave       10960 max       10960 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 10960
Ave neighs/atom = 1370
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.00405441263506479 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 = 1.969101 1.969101 1.969101
Created orthogonal box = (0 0 0) to (1.969101 1.969101 1.969101)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.969101 1.969101 1.969101)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.24 | 5.24 | 5.24 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           8   0              1.969101       0              1.969101       0              1.969101      -58.868032     -1.1644935e-07 -1.1644935e-07 -1.1644935e-07 -1.1644935e-07 -1.1644935e-07  1.0552706e-21 -1.0658235e-20 -9.4897994e-21
Loop time of 6.515e-06 on 1 procs for 0 steps with 8 atoms

230.2% 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   |            | 6.515e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4496 ave        4496 max        4496 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:        12016 ave       12016 max       12016 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 12016
Ave neighs/atom = 1502
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.00405441263503992 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 = 1.929345 1.929345 1.929345
Created orthogonal box = (0 0 0) to (1.929345 1.929345 1.929345)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.929345 1.929345 1.929345)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.24 | 5.24 | 5.24 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           8   0              1.929345       0              1.929345       0              1.929345      -58.868032     -2.7049148e-09 -2.7049148e-09 -2.7049148e-09 -2.7049148e-09 -2.7049148e-09  1.5535501e-23  1.2567912e-22  1.54252e-22  
Loop time of 6.205e-06 on 1 procs for 0 steps with 8 atoms

209.5% 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   |            | 6.205e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4496 ave        4496 max        4496 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:        12592 ave       12592 max       12592 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 12592
Ave neighs/atom = 1574
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.00405441263503992 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 = 1.886702 1.886702 1.886702
Created orthogonal box = (0 0 0) to (1.886702 1.886702 1.886702)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.886702 1.886702 1.886702)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.24 | 5.24 | 5.24 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           8   0              1.886702       0              1.886702       0              1.886702      -58.868032      0              0              0              0              0              0              0              0            
Loop time of 6.315e-06 on 1 procs for 0 steps with 8 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   |            | 6.315e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4496 ave        4496 max        4496 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:        14032 ave       14032 max       14032 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 14032
Ave neighs/atom = 1754
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.00405441263503992 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 = 1.840721 1.840721 1.840721
Created orthogonal box = (0 0 0) to (1.840721 1.840721 1.840721)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.840721 1.840721 1.840721)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.256 | 5.256 | 5.256 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           8   0              1.840721       0              1.840721       0              1.840721      -58.868032      0              0              0              0              0              0              0              0            
Loop time of 6.415e-06 on 1 procs for 0 steps with 8 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   |            | 6.415e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5364 ave        5364 max        5364 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:        14896 ave       14896 max       14896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 14896
Ave neighs/atom = 1862
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.00405441263503992 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 = 1.790834 1.790834 1.790834
Created orthogonal box = (0 0 0) to (1.790834 1.790834 1.790834)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.790834 1.790834 1.790834)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.256 | 5.256 | 5.256 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           8   0              1.790834       0              1.790834       0              1.790834      -58.868032      0              0              0              0              0              0              0              0            
Loop time of 6.264e-06 on 1 procs for 0 steps with 8 atoms

191.6% 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   |            | 6.264e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5364 ave        5364 max        5364 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:        15696 ave       15696 max       15696 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 15696
Ave neighs/atom = 1962
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.00405441263503992 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 = 1.736315 1.736315 1.736315
Created orthogonal box = (0 0 0) to (1.736315 1.736315 1.736315)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.736315 1.736315 1.736315)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.313 | 5.313 | 5.313 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           8   0              1.736315       0              1.736315       0              1.736315      -58.868032      4.7671485e-08  4.7671485e-08  4.7671485e-08  4.7671485e-08  4.7671485e-08  1.1582649e-21  8.80014e-21    7.6119092e-21
Loop time of 6.645e-06 on 1 procs for 0 steps with 8 atoms

195.6% 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   |            | 6.645e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           6338 ave        6338 max        6338 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:        17568 ave       17568 max       17568 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 17568
Ave neighs/atom = 2196
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.00405441263503992 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 = 1.676216 1.676216 1.676216
Created orthogonal box = (0 0 0) to (1.676216 1.676216 1.676216)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.676216 1.676216 1.676216)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.313 | 5.313 | 5.313 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           8   0              1.676216       0              1.676216       0              1.676216      -58.868018      1384.3844      1384.3844      1384.3844      1384.3844      1384.3844      3.2336889e-11  6.7091215e-11  4.2345719e-11
Loop time of 6.485e-06 on 1 procs for 0 steps with 8 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:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           6338 ave        6338 max        6338 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:        19392 ave       19392 max       19392 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 19392
Ave neighs/atom = 2424
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.00405627859982705 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 = 1.609263 1.609263 1.609263
Created orthogonal box = (0 0 0) to (1.609263 1.609263 1.609263)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.609263 1.609263 1.609263)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.332 | 5.332 | 5.332 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           8   0              1.609263       0              1.609263       0              1.609263      -58.762222      2679.1702      2679.1702      2679.1702      2679.1702      2679.1702      2.1157348e-11 -6.2006894e-11 -5.2770624e-11
Loop time of 6.244e-06 on 1 procs for 0 steps with 8 atoms

192.2% 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   |            | 6.244e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7422 ave        7422 max        7422 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:        22464 ave       22464 max       22464 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 22464
Ave neighs/atom = 2808
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.017280689466002 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 = 1.533687 1.533687 1.533687
Created orthogonal box = (0 0 0) to (1.533687 1.533687 1.533687)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.533687 1.533687 1.533687)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.352 | 5.352 | 5.352 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           8   0              1.533687       0              1.533687       0              1.533687      -58.762215     -0.66893116    -0.66893116    -0.66893116    -0.66893116    -0.66893116     4.6653459e-15 -4.3749369e-14 -3.3752513e-14
Loop time of 6.355e-06 on 1 procs for 0 steps with 8 atoms

173.1% 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   |            | 6.355e-06  |            |       |100.00

Nlocal:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8622 ave        8622 max        8622 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:        25152 ave       25152 max       25152 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 25152
Ave neighs/atom = 3144
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.0172816292376776 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 = 1.446936 1.446936 1.446936
Created orthogonal box = (0 0 0) to (1.446936 1.446936 1.446936)
  1 by 1 by 1 MPI processor grid
Created 8 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.446936 1.446936 1.446936)
  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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      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) = 5.374 | 5.374 | 5.374 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           8   0              1.446936       0              1.446936       0              1.446936      -58.792648      0              0              0              0              0              0              0              0            
Loop time of 5.954e-06 on 1 procs for 0 steps with 8 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:              8 ave           8 max           8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           9946 ave        9946 max        9946 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:        30272 ave       30272 max       30272 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 30272
Ave neighs/atom = 3784
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.0134774409233023 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 = 1.345122 1.345122 1.345122
Created orthogonal box = (0 0 0) to (1.345122 1.345122 1.345122)
  1 by 1 by 1 MPI process