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 = 3.53261 3.53261 3.53261
Created orthogonal box = (0 0 0) to (3.53261 3.53261 3.53261)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (3.53261 3.53261 3.53261)
  create_atoms CPU = 0.000 seconds

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


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

Your simulation uses code contributions which should be cited:
- OpenKIM: https://doi.org/10.1007/s11837-011-0102-6
- OpenKIM potential: https://openkim.org/cite/MO_612225165948_002#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) = 5.082 | 5.082 | 5.082 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              3.53261        0              3.53261        0              3.53261       -1.4522032     -64657.182     -64657.182     -64657.182     -64657.182     -64657.182      0              0              0            
Loop time of 1.202e-06 on 1 procs for 0 steps with 1 atoms

83.2% 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   |            | 1.202e-06  |            |       |100.00

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

Total # of neighbors = 26
Ave neighs/atom = 26
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.45220319270342 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 = 3.295911 3.295911 3.295911
Created orthogonal box = (0 0 0) to (3.295911 3.295911 3.295911)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (3.295911 3.295911 3.295911)
  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) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              3.295911       0              3.295911       0              3.295911      -1.861193      -94976.161     -94976.161     -94976.161     -94976.161     -94976.161      0              0              5.8220435e-14
Loop time of 6.11e-07 on 1 procs for 0 steps with 1 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.11e-07   |            |       |100.00

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

Total # of neighbors = 32
Ave neighs/atom = 32
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.86119302098775 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 = 3.149215 3.149215 3.149215
Created orthogonal box = (0 0 0) to (3.149215 3.149215 3.149215)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (3.149215 3.149215 3.149215)
  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) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              3.149215       0              3.149215       0              3.149215      -2.1623106     -116938        -116938        -116938        -116938        -116938         0              0              0            
Loop time of 6.01e-07 on 1 procs for 0 steps with 1 atoms

332.8% 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   |            | 6.01e-07   |            |       |100.00

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

Total # of neighbors = 32
Ave neighs/atom = 32
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.16231058745779 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 = 3.042632 3.042632 3.042632
Created orthogonal box = (0 0 0) to (3.042632 3.042632 3.042632)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (3.042632 3.042632 3.042632)
  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) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              3.042632       0              3.042632       0              3.042632      -2.4023692     -134357.49     -134357.49     -134357.49     -134357.49     -134357.49      0              0              0            
Loop time of 5.91e-07 on 1 procs for 0 steps with 1 atoms

169.2% 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   |            | 5.91e-07   |            |       |100.00

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

Total # of neighbors = 56
Ave neighs/atom = 56
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.40236915068459 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 = 2.958871 2.958871 2.958871
Created orthogonal box = (0 0 0) to (2.958871 2.958871 2.958871)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.958871 2.958871 2.958871)
  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) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.958871       0              2.958871       0              2.958871      -2.6018218     -148149.36     -148149.36     -148149.36     -148149.36     -148149.36      0              0              0            
Loop time of 6.01e-07 on 1 procs for 0 steps with 1 atoms

166.4% 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   |            | 6.01e-07   |            |       |100.00

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

Total # of neighbors = 56
Ave neighs/atom = 56
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.60182177593904 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 = 2.889862 2.889862 2.889862
Created orthogonal box = (0 0 0) to (2.889862 2.889862 2.889862)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.889862 2.889862 2.889862)
  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) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.889862       0              2.889862       0              2.889862      -2.7714963     -158839.64     -158839.64     -158839.64     -158839.64     -158839.64      0              0              0            
Loop time of 5.81e-07 on 1 procs for 0 steps with 1 atoms

172.1% 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   |            | 5.81e-07   |            |       |100.00

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

Total # of neighbors = 56
Ave neighs/atom = 56
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.77149625695426 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 = 2.831177 2.831177 2.831177
Created orthogonal box = (0 0 0) to (2.831177 2.831177 2.831177)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.831177 2.831177 2.831177)
  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) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.831177       0              2.831177       0              2.831177      -2.9179696     -166772.06     -166772.06     -166772.06     -166772.06     -166772.06      0              0             -1.1960232e-14
Loop time of 5.91e-07 on 1 procs for 0 steps with 1 atoms

169.2% 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   |            | 5.91e-07   |            |       |100.00

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

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.91796958223248 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 = 2.780127 2.780127 2.780127
Created orthogonal box = (0 0 0) to (2.780127 2.780127 2.780127)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.780127 2.780127 2.780127)
  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) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.780127       0              2.780127       0              2.780127      -3.0455928     -172189.45     -172189.45     -172189.45     -172189.45     -172189.45      0              3.1578155e-17  7.6419136e-15
Loop time of 5.71e-07 on 1 procs for 0 steps with 1 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.71e-07   |            |       |100.00

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

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.04559278060673 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 = 2.734951 2.734951 2.734951
Created orthogonal box = (0 0 0) to (2.734951 2.734951 2.734951)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.734951 2.734951 2.734951)
  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) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.734951       0              2.734951       0              2.734951      -3.1574401     -175273.97     -175273.97     -175273.97     -175273.97     -175273.97      0              6.6337945e-17 -2.3218281e-15
Loop time of 6.82e-07 on 1 procs for 0 steps with 1 atoms

146.6% 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   |            | 6.82e-07   |            |       |100.00

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

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.15744007900592 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 = 2.694436 2.694436 2.694436
Created orthogonal box = (0 0 0) to (2.694436 2.694436 2.694436)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.694436 2.694436 2.694436)
  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) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.694436       0              2.694436       0              2.694436      -3.2557762     -176167.51     -176167.51     -176167.51     -176167.51     -176167.51      0              0             -2.150645e-15 
Loop time of 5.91e-07 on 1 procs for 0 steps with 1 atoms

169.2% 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   |            | 5.91e-07   |            |       |100.00

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

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.2557762324452 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 = 2.65771 2.65771 2.65771
Created orthogonal box = (0 0 0) to (2.65771 2.65771 2.65771)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.65771 2.65771 2.65771)
  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) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.65771        0              2.65771        0              2.65771       -3.3423326     -174984.32     -174984.32     -174984.32     -174984.32     -174984.32      0              0             -1.301249e-15 
Loop time of 5.81e-07 on 1 procs for 0 steps with 1 atoms

172.1% 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   |            | 5.81e-07   |            |       |100.00

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

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.34233260032453 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 = 2.624124 2.624124 2.624124
Created orthogonal box = (0 0 0) to (2.624124 2.624124 2.624124)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.624124 2.624124 2.624124)
  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) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.624124       0              2.624124       0              2.624124      -3.418473      -171818.64     -171818.64     -171818.64     -171818.64     -171818.64      0              0              3.7551527e-16
Loop time of 5.91e-07 on 1 procs for 0 steps with 1 atoms

169.2% 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   |            | 5.91e-07   |            |       |100.00

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

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.418473015918 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 = 2.593183 2.593183 2.593183
Created orthogonal box = (0 0 0) to (2.593183 2.593183 2.593183)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.593183 2.593183 2.593183)
  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) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.593183       0              2.593183       0              2.593183      -3.4852935     -166749.68     -166749.68     -166749.68     -166749.68     -166749.68      0              7.7823573e-17  7.7823573e-16
Loop time of 5.81e-07 on 1 procs for 0 steps with 1 atoms

172.1% 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   |            | 5.81e-07   |            |       |100.00

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

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.48529345665617 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 = 2.564501 2.564501 2.564501
Created orthogonal box = (0 0 0) to (2.564501 2.564501 2.564501)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.564501 2.564501 2.564501)
  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) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.564501       0              2.564501       0              2.564501      -3.5436916     -159845.24     -159845.24     -159845.24     -159845.24     -159845.24      0              8.0464079e-17 -1.6092816e-16
Loop time of 5.91e-07 on 1 procs for 0 steps with 1 atoms

169.2% 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   |            | 5.91e-07   |            |       |100.00

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

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.54369158644777 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 = 2.53777 2.53777 2.53777
Created orthogonal box = (0 0 0) to (2.53777 2.53777 2.53777)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.53777 2.53777 2.53777)
  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) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.53777        0              2.53777        0              2.53777       -3.5944171     -151163.9      -151163.9      -151163.9      -151163.9      -151163.9       0              0              1.3874915e-13
Loop time of 6.41e-07 on 1 procs for 0 steps with 1 atoms

312.0% 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   |            | 6.41e-07   |            |       |100.00

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

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.59441714410483 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 = 2.512742 2.512742 2.512742
Created orthogonal box = (0 0 0) to (2.512742 2.512742 2.512742)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.512742 2.512742 2.512742)
  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) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.512742       0              2.512742       0              2.512742      -3.6381013     -140757.38     -140757.38     -140757.38     -140757.38     -140757.38      0              4.2769775e-17 -4.2769775e-17
Loop time of 5.81e-07 on 1 procs for 0 steps with 1 atoms

172.1% 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   |            | 5.81e-07   |            |       |100.00

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

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.6381013016204 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 = 2.489212 2.489212 2.489212
Created orthogonal box = (0 0 0) to (2.489212 2.489212 2.489212)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.489212 2.489212 2.489212)
  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) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.489212       0              2.489212       0              2.489212      -3.6752864     -128670.68     -128670.68     -128670.68     -128670.68     -128670.68      0              0              8.094925e-15 
Loop time of 6.01e-07 on 1 procs for 0 steps with 1 atoms

166.4% 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   |            | 6.01e-07   |            |       |100.00

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

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.67528637603174 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 = 2.467012 2.467012 2.467012
Created orthogonal box = (0 0 0) to (2.467012 2.467012 2.467012)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.467012 2.467012 2.467012)
  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) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.467012       0              2.467012       0              2.467012      -3.7064371     -114945.21     -114945.21     -114945.21     -114945.21     -114945.21      0             -4.5192553e-17  3.1508248e-13
Loop time of 5.71e-07 on 1 procs for 0 steps with 1 atoms

175.1% 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   |            | 5.71e-07   |            |       |100.00

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

Total # of neighbors = 92
Ave neighs/atom = 92
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.70643710420201 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 = 2.445999 2.445999 2.445999
Created orthogonal box = (0 0 0) to (2.445999 2.445999 2.445999)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.445999 2.445999 2.445999)
  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) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.445999       0              2.445999       0              2.445999      -3.7319617     -99617.162     -99617.162     -99617.162     -99617.162     -99617.162      0              4.6367303e-17  6.1668514e-15
Loop time of 6.01e-07 on 1 procs for 0 steps with 1 atoms

166.4% 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   |            | 6.01e-07   |            |       |100.00

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

Total # of neighbors = 92
Ave neighs/atom = 92
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.73196172712223 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 = 2.426053 2.426053 2.426053
Created orthogonal box = (0 0 0) to (2.426053 2.426053 2.426053)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.426053 2.426053 2.426053)
  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) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.426053       0              2.426053       0              2.426053      -3.7522173     -82719.995     -82719.995     -82719.995     -82719.995     -82719.995      0              0              2.2239533e-14
Loop time of 5.92e-07 on 1 procs for 0 steps with 1 atoms

337.8% 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   |            | 5.92e-07   |            |       |100.00

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

Total # of neighbors = 92
Ave neighs/atom = 92
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.75221726585493 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 = 2.40707 2.40707 2.40707
Created orthogonal box = (0 0 0) to (2.40707 2.40707 2.40707)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.40707 2.40707 2.40707)
  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) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.40707        0              2.40707        0              2.40707       -3.7675211     -64283.146     -64283.146     -64283.146     -64283.146     -64283.146      0              0              7.1666674e-13
Loop time of 6.01e-07 on 1 procs for 0 steps with 1 atoms

166.4% 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   |            | 6.01e-07   |            |       |100.00

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

Total # of neighbors = 92
Ave neighs/atom = 92
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.7675210974307 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 = 2.388961 2.388961 2.388961
Created orthogonal box = (0 0 0) to (2.388961 2.388961 2.388961)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.388961 2.388961 2.388961)
  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) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.388961       0              2.388961       0              2.388961      -3.7781548     -44333.612     -44333.612     -44333.612     -44333.612     -44333.612      0              1.4930513e-16 -2.4187432e-14
Loop time of 5.81e-07 on 1 procs for 0 steps with 1 atoms

172.1% 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   |            | 5.81e-07   |            |       |100.00

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

Total # of neighbors = 92
Ave neighs/atom = 92
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.77815484849945 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 = 2.37165 2.37165 2.37165
Created orthogonal box = (0 0 0) to (2.37165 2.37165 2.37165)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.37165 2.37165 2.37165)
  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) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.37165        0              2.37165        0              2.37165       -3.7843703     -22897.924     -22897.924     -22897.924     -22897.924     -22897.924      0              0             -2.3703626e-14
Loop time of 5.71e-07 on 1 procs for 0 steps with 1 atoms

175.1% 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   |            | 5.71e-07   |            |       |100.00

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

Total # of neighbors = 92
Ave neighs/atom = 92
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.78437030675481 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 = 2.35507 2.35507 2.35507
Created orthogonal box = (0 0 0) to (2.35507 2.35507 2.35507)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.35507 2.35507 2.35507)
  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) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.35507        0              2.35507        0              2.35507       -3.7863952     -0.034562974   -0.034562974   -0.034562974   -0.034562974   -0.034562974    0              0             -1.620779e-14 
Loop time of 6.01e-07 on 1 procs for 0 steps with 1 atoms

166.4% 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   |            | 6.01e-07   |            |       |100.00

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

Total # of neighbors = 92
Ave neighs/atom = 92
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.78639517894549 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 = 2.338308 2.338308 2.338308
Created orthogonal box = (0 0 0) to (2.338308 2.338308 2.338308)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.338308 2.338308 2.338308)
  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) = 5.113 | 5.113 | 5.113 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.338308       0              2.338308       0              2.338308      -3.784217       25713.785      25713.785      25713.785      25713.785      25713.785      0              0             -7.4302522e-15
Loop time of 9.62e-07 on 1 procs for 0 steps with 1 atoms

207.9% 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   |            | 9.62e-07   |            |       |100.00

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

Total # of neighbors = 92
Ave neighs/atom = 92
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.78421698082818 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 = 2.321035 2.321035 2.321035
Created orthogonal box = (0 0 0) to (2.321035 2.321035 2.321035)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.321035 2.321035 2.321035)
  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) = 5.149 | 5.149 | 5.149 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.321035       0              2.321035       0              2.321035      -3.7771717      55148.378      55148.378      55148.378      55148.378      55148.378      0              0             -4.3630646e-14
Loop time of 5.81e-07 on 1 procs for 0 steps with 1 atoms

172.1% 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   |            | 5.81e-07   |            |       |100.00

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

Total # of neighbors = 122
Ave neighs/atom = 122
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.77717167400626 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 = 2.303218 2.303218 2.303218
Created orthogonal box = (0 0 0) to (2.303218 2.303218 2.303218)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.303218 2.303218 2.303218)
  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) = 5.149 | 5.149 | 5.149 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.303218       0              2.303218       0              2.303218      -3.7643862      88915.884      88915.884      88915.884      88915.884      88915.884      0              0              4.7983207e-14
Loop time of 6.31e-07 on 1 procs for 0 steps with 1 atoms

317.0% 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   |            | 6.31e-07   |            |       |100.00

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

Total # of neighbors = 122
Ave neighs/atom = 122
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.76438621289173 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 = 2.284822 2.284822 2.284822
Created orthogonal box = (0 0 0) to (2.284822 2.284822 2.284822)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.284822 2.284822 2.284822)
  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) = 5.149 | 5.149 | 5.149 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.284822       0              2.284822       0              2.284822      -3.7448217      127747.48      127747.48      127747.48      127747.48      127747.48      0              0             -1.2742997e-14
Loop time of 5.91e-07 on 1 procs for 0 steps with 1 atoms

169.2% 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   |            | 5.91e-07   |            |       |100.00

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

Total # of neighbors = 122
Ave neighs/atom = 122
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.74482173933941 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 = 2.265808 2.265808 2.265808
Created orthogonal box = (0 0 0) to (2.265808 2.265808 2.265808)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.265808 2.265808 2.265808)
  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) = 5.149 | 5.149 | 5.149 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.265808       0              2.265808       0              2.265808      -3.7172362      172524.33      172524.33      172524.33      172524.33      172524.33      0              2.3333041e-16 -8.3380621e-13
Loop time of 6.21e-07 on 1 procs for 0 steps with 1 atoms

161.0% 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   |            | 6.21e-07   |            |       |100.00

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

Total # of neighbors = 122
Ave neighs/atom = 122
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.71723617658234 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 = 2.246134 2.246134 2.246134
Created orthogonal box = (0 0 0) to (2.246134 2.246134 2.246134)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.246134 2.246134 2.246134)
  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) = 5.149 | 5.149 | 5.149 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.246134       0              2.246134       0              2.246134      -3.6801402      224311.38      224311.38      224311.38      224311.38      224311.38      0             -1.1975776e-16  2.0134873e-12
Loop time of 6.71e-07 on 1 procs for 0 steps with 1 atoms

149.0% 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   |            | 6.71e-07   |            |       |100.00

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

Total # of neighbors = 122
Ave neighs/atom = 122
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.68014018983543 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 = 2.225752 2.225752 2.225752
Created orthogonal box = (0 0 0) to (2.225752 2.225752 2.225752)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.225752 2.225752 2.225752)
  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) = 5.149 | 5.149 | 5.149 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.225752       0              2.225752       0              2.225752      -3.6317347      284409.77      284409.77      284409.77      284409.77      284409.77      0              1.2307798e-16 -8.3951487e-13
Loop time of 5.91e-07 on 1 procs for 0 steps with 1 atoms

169.2% 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   |            | 5.91e-07   |            |       |100.00

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

Total # of neighbors = 122
Ave neighs/atom = 122
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.63173468316353 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 = 2.204608 2.204608 2.204608
Created orthogonal box = (0 0 0) to (2.204608 2.204608 2.204608)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.204608 2.204608 2.204608)
  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) = 5.149 | 5.149 | 5.149 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.204608       0              2.204608       0              2.204608      -3.5698345      354419.18      354419.18      354419.18      354419.18      354419.18      0              0             -2.6090581e-14
Loop time of 4.81e-07 on 1 procs for 0 steps with 1 atoms

207.9% 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   |            | 4.81e-07   |            |       |100.00

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

Total # of neighbors = 146
Ave neighs/atom = 146
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.56983452263952 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 = 2.182645 2.182645 2.182645
Created orthogonal box = (0 0 0) to (2.182645 2.182645 2.182645)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.182645 2.182645 2.182645)
  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) = 5.149 | 5.149 | 5.149 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.182645       0              2.182645       0              2.182645      -3.4917841      436304.87      436304.87      436304.87      436304.87      436304.87      0              0              2.7408208e-15
Loop time of 8.61e-07 on 1 procs for 0 steps with 1 atoms

348.4% 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   |            | 8.61e-07   |            |       |100.00

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

Total # of neighbors = 146
Ave neighs/atom = 146
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.4917841170994 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 = 2.159795 2.159795 2.159795
Created orthogonal box = (0 0 0) to (2.159795 2.159795 2.159795)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.159795 2.159795 2.159795)
  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) = 5.149 | 5.149 | 5.149 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.159795       0              2.159795       0              2.159795      -3.39431        532529.8       532529.8       532529.8       532529.8       532529.8       1.347017e-16   1.347017e-16   1.4951888e-14
Loop time of 8.82e-07 on 1 procs for 0 steps with 1 atoms

226.8% 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   |            | 8.82e-07   |            |       |100.00

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

Total # of neighbors = 146
Ave neighs/atom = 146
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.39430998723119 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 = 2.135984 2.135984 2.135984
Created orthogonal box = (0 0 0) to (2.135984 2.135984 2.135984)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.135984 2.135984 2.135984)
  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) = 5.149 | 5.149 | 5.149 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.135984       0              2.135984       0              2.135984      -3.2733753      646177.87      646177.87      646177.87      646177.87      646177.87      0              0              1.9774478e-14
Loop time of 8.81e-07 on 1 procs for 0 steps with 1 atoms

227.0% 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   |            | 8.81e-07   |            |       |100.00

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

Total # of neighbors = 146
Ave neighs/atom = 146
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.27337527207079 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 = 2.111128 2.111128 2.111128
Created orthogonal box = (0 0 0) to (2.111128 2.111128 2.111128)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.111128 2.111128 2.111128)
  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) = 5.149 | 5.149 | 5.149 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.111128       0              2.111128       0              2.111128      -3.123954       781158.05      781158.05      781158.05      781158.05      781158.05      0              0             -1.4163756e-13
Loop time of 8.92e-07 on 1 procs for 0 steps with 1 atoms

112.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 8.92e-07   |            |       |100.00

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

Total # of neighbors = 146
Ave neighs/atom = 146
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.12395398860374 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 = 2.08513 2.08513 2.08513
Created orthogonal box = (0 0 0) to (2.08513 2.08513 2.08513)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.08513 2.08513 2.08513)
  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) = 5.149 | 5.149 | 5.149 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.08513        0              2.08513        0              2.08513       -2.9397282      942484.59      942484.59      942484.59      942484.59      942484.59      0              0              6.5567007e-14
Loop time of 5.61e-07 on 1 procs for 0 steps with 1 atoms

356.5% 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   |            | 5.61e-07   |            |       |100.00

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

Total # of neighbors = 170
Ave neighs/atom = 170
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.93972818217367 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 = 2.057881 2.057881 2.057881
Created orthogonal box = (0 0 0) to (2.057881 2.057881 2.057881)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.057881 2.057881 2.057881)
  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) = 5.149 | 5.149 | 5.149 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.057881       0              2.057881       0              2.057881      -2.7127106      1136634.3      1136634.3      1136634.3      1136634.3      1136634.3      0              0             -1.0651383e-13
Loop time of 9.62e-07 on 1 procs for 0 steps with 1 atoms

207.9% 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   |            | 9.62e-07   |            |       |100.00

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

Total # of neighbors = 170
Ave neighs/atom = 170
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.71271064257467 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 = 2.029254 2.029254 2.029254
Created orthogonal box = (0 0 0) to (2.029254 2.029254 2.029254)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.029254 2.029254 2.029254)
  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) = 5.149 | 5.149 | 5.149 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              2.029254       0              2.029254       0              2.029254      -2.4326766      1372102.2      1372102.2      1372102.2      1372102.2      1372102.2      0              0             -4.2745196e-13
Loop time of 5.71e-07 on 1 procs for 0 steps with 1 atoms

175.1% 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   |            | 5.71e-07   |            |       |100.00

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

Total # of neighbors = 170
Ave neighs/atom = 170
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.43267664342209 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 = 1.999103 1.999103 1.999103
Created orthogonal box = (0 0 0) to (1.999103 1.999103 1.999103)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.999103 1.999103 1.999103)
  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) = 5.149 | 5.149 | 5.149 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.999103       0              1.999103       0              1.999103      -2.0864229      1660153.9      1660153.9      1660153.9      1660153.9      1660153.9      0              0             -2.1403051e-14
Loop time of 5.91e-07 on 1 procs for 0 steps with 1 atoms

169.2% 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   |            | 5.91e-07   |            |       |100.00

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

Total # of neighbors = 178
Ave neighs/atom = 178
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.08642288764997 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 = 1.967256 1.967256 1.967256
Created orthogonal box = (0 0 0) to (1.967256 1.967256 1.967256)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.967256 1.967256 1.967256)
  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) = 5.149 | 5.149 | 5.149 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.967256       0              1.967256       0              1.967256      -1.6566634      2015976.6      2015976.6      2015976.6      2015976.6      2015976.6      0              0              1.5044248e-13
Loop time of 6.01e-07 on 1 procs for 0 steps with 1 atoms

166.4% 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   |            | 6.01e-07   |            |       |100.00

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

Total # of neighbors = 178
Ave neighs/atom = 178
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.65666338521724 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 = 1.93351 1.93351 1.93351
Created orthogonal box = (0 0 0) to (1.93351 1.93351 1.93351)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.93351 1.93351 1.93351)
  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) = 5.149 | 5.149 | 5.149 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.93351        0              1.93351        0              1.93351       -1.1204749      2460373.8      2460373.8      2460373.8      2460373.8      2460373.8      0              0              1.066399e-13 
Loop time of 5.81e-07 on 1 procs for 0 steps with 1 atoms

172.1% 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   |            | 5.81e-07   |            |       |100.00

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

Total # of neighbors = 202
Ave neighs/atom = 202
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.12047489488705 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 = 1.897626 1.897626 1.897626
Created orthogonal box = (0 0 0) to (1.897626 1.897626 1.897626)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.897626 1.897626 1.897626)
  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) = 5.149 | 5.149 | 5.149 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.897626       0              1.897626       0              1.897626      -0.44705757     3022322.4      3022322.4      3022322.4      3022322.4      3022322.4      0              0              1.3584226e-13
Loop time of 8.02e-07 on 1 procs for 0 steps with 1 atoms

124.7% 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   |            | 8.02e-07   |            |       |100.00

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

Total # of neighbors = 202
Ave neighs/atom = 202
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.447057570992969 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 = 1.859312 1.859312 1.859312
Created orthogonal box = (0 0 0) to (1.859312 1.859312 1.859312)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.859312 1.859312 1.859312)
  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) = 5.149 | 5.149 | 5.149 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.859312       0              1.859312       0              1.859312       0.40582141     3743161.2      3743161.2      3743161.2      3743161.2      3743161.2      0              0              3.0656351e-13
Loop time of 5.91e-07 on 1 procs for 0 steps with 1 atoms

169.2% 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   |            | 5.91e-07   |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            511 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:          250 ave         250 max         250 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 250
Ave neighs/atom = 250
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.405821412119821 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 = 1.818217 1.818217 1.818217
Created orthogonal box = (0 0 0) to (1.818217 1.818217 1.818217)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.818217 1.818217 1.818217)
  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) = 5.149 | 5.149 | 5.149 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.818217       0              1.818217       0              1.818217       1.4969698      4683085.2      4683085.2      4683085.2      4683085.2      4683085.2      0              0              3.6123806e-15
Loop time of 6.71e-07 on 1 procs for 0 steps with 1 atoms

298.1% 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   |            | 6.71e-07   |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            511 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:          250 ave         250 max         250 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 250
Ave neighs/atom = 250
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 1.49696977504556 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 = 1.773905 1.773905 1.773905
Created orthogonal box = (0 0 0) to (1.773905 1.773905 1.773905)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.773905 1.773905 1.773905)
  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) = 5.149 | 5.149 | 5.149 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.773905       0              1.773905       0              1.773905       2.9102782      5932343.8      5932343.8      5932343.8      5932343.8      5932343.8      0              0             -5.4944981e-14
Loop time of 5.71e-07 on 1 procs for 0 steps with 1 atoms

175.1% 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   |            | 5.71e-07   |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            511 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:          250 ave         250 max         250 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 250
Ave neighs/atom = 250
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 2.91027821189307 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 = 1.725828 1.725828 1.725828
Created orthogonal box = (0 0 0) to (1.725828 1.725828 1.725828)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.725828 1.725828 1.725828)
  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) = 5.194 | 5.194 | 5.194 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.725828       0              1.725828       0              1.725828       4.7684417      7630558.8      7630558.8      7630558.8      7630558.8      7630558.8      0              0             -1.0877156e-13
Loop time of 5.71e-07 on 1 procs for 0 steps with 1 atoms

350.3% 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   |            | 5.71e-07   |            |       |100.00

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

Total # of neighbors = 256
Ave neighs/atom = 256
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 4.76844174579622 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 = 1.673288 1.673288 1.673288
Created orthogonal box = (0 0 0) to (1.673288 1.673288 1.673288)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.673288 1.673288 1.673288)
  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) = 5.194 | 5.194 | 5.194 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.673288       0              1.673288       0              1.673288       7.2561137      10001778       10001778       10001778       10001778       10001778       0              0             -7.6483595e-12
Loop time of 5.81e-07 on 1 procs for 0 steps with 1 atoms

172.1% 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   |            | 5.81e-07   |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            999 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:          304 ave         304 max         304 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 304
Ave neighs/atom = 304
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 7.25611365060174 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 = 1.61537 1.61537 1.61537
Created orthogonal box = (0 0 0) to (1.61537 1.61537 1.61537)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.61537 1.61537 1.61537)
  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) = 5.194 | 5.194 | 5.194 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.61537        0              1.61537        0              1.61537        10.661346      13422135       13422135       13422135       13422135       13422135       0              0              1.5476357e-11
Loop time of 4.81e-07 on 1 procs for 0 steps with 1 atoms

207.9% 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   |            | 4.81e-07   |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            999 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:          340 ave         340 max         340 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 340
Ave neighs/atom = 340
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 10.6613457371971 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 = 1.550846 1.550846 1.550846
Created orthogonal box = (0 0 0) to (1.550846 1.550846 1.550846)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.550846 1.550846 1.550846)
  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) = 5.194 | 5.194 | 5.194 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.550846       0              1.550846       0              1.550846       15.452593      18558017       18558017       18558017       18558017       18558017       0              0             -5.9596195e-13
Loop time of 4.71e-07 on 1 procs for 0 steps with 1 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 4.71e-07   |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            999 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:          388 ave         388 max         388 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 388
Ave neighs/atom = 388
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 15.4525934936753 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 = 1.478013 1.478013 1.478013
Created orthogonal box = (0 0 0) to (1.478013 1.478013 1.478013)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.478013 1.478013 1.478013)
  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) = 5.194 | 5.194 | 5.194 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.478013       0              1.478013       0              1.478013       22.431983      26672092       26672092       26672092       26672092       26672092       8.4063195e-16  8.4063195e-16  6.7754936e-13
Loop time of 4.91e-07 on 1 procs for 0 steps with 1 atoms

203.7% 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   |            | 4.91e-07   |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            999 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:          460 ave         460 max         460 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460
Ave neighs/atom = 460
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 22.4319826978173 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 = 1.39441 1.39441 1.39441
Created orthogonal box = (0 0 0) to (1.39441 1.39441 1.39441)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.39441 1.39441 1.39441)
  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) = 5.247 | 5.247 | 5.247 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.39441        0              1.39441        0              1.39441        33.064903      40371651       40371651       40371651       40371651       40371651       0              0             -5.5259668e-12
Loop time of 4.81e-07 on 1 procs for 0 steps with 1 atoms

207.9% 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   |            | 4.81e-07   |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1727 ave        1727 max        1727 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:          514 ave         514 max         514 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 514
Ave neighs/atom = 514
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 33.0649031700648 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 = 1.29629 1.29629 1.29629
Created orthogonal box = (0 0 0) to (1.29629 1.29629 1.29629)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.29629 1.29629 1.29629)
  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) = 5.247 | 5.247 | 5.247 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.29629        0              1.29629        0              1.29629        50.262479      65690148       65690148       65690148       65690148       65690148       0              0              2.0166012e-11
Loop time of 4.71e-07 on 1 procs for 0 steps with 1 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 4.71e-07   |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1727 ave        1727 max        1727 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:          690 ave         690 max         690 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 690
Ave neighs/atom = 690
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 50.2624786019633 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 = 1.17753 1.17753 1.17753
Created orthogonal box = (0 0 0) to (1.17753 1.17753 1.17753)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.17753 1.17753 1.17753)
  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) = 5.247 | 5.247 | 5.247 Mbytes
   Step        Atoms     v_xlo_metal    v_xhi_metal    v_ylo_metal    v_yhi_metal    v_zlo_metal    v_zhi_metal     v_pe_metal       Press      v_press_metal   v_pxx_metal    v_pyy_metal    v_pzz_metal    v_pxy_metal    v_pxz_metal    v_pyz_metal  
         0           1   0              1.17753        0              1.17753        0              1.17753        80.502192      1.1899933e+08  1.1899933e+08  1.1899933e+08  1.1899933e+08  1.1899933e+08  0              0             -3.6611786e-11
Loop time of 4.91e-07 on 1 procs for 0 steps with 1 atoms

203.7% 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   |            | 4.91e-07   |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1727 ave        1727 max        1727 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:          894 ave         894 max         894 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 894
Ave neighs/atom = 894
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 80.5021923613253 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task
Total wall time: 0:00:01